C200-5183 Screening compound: N-benzyl-4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide

C200-5183 Screening compound: N-benzyl-4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide
C200-5183 Screening compound: N-benzyl-4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5183
N-benzyl-4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C200-5183

Molecular Formula

C32H36N4O6S (C32 H36 N4 O6 S)

Compound Name

N-benzyl-4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide

IUPAC name

N-benzyl-4-{[1-({[(23-dimethoxyphenyl)methyl]carbamoyl}methyl)-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl]methyl}cyclohexane-1-carboxamide

SMILES

COc1cccc(CNC(CN(c2c(C(N3CC(CC4)CCC4C(NCc4ccccc4)=O)=O)scc2)C3=O)=O)c1OC

InChI

InChI=1S/C32H36N4O6S/c1-41-26-10-6-9-24(28(26)42-2)18-33-27(37)20-35-25-15-16-43-29(25)31(39)36(32(35)40)19-22-11-13-23(14-12-22)30(38)34-17-21-7-4-3-5-8-21/h3-10,15-16,22-23H,11-14,17-20H2,1-2H3,(H,33,37)(H,34,38)

InChI Key

CYMNWXLFFDXKNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.40

Polar Surface Area

96.710

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C200-5183 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C200-5183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5183?
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What is the minimum amount of C200-5183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5183
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C200-5183 available by request