C200-5181 Screening compound: N-benzyl-4-[(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide

C200-5181 Screening compound: N-benzyl-4-[(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide
C200-5181 Screening compound: N-benzyl-4-[(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-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 C200-5181
N-benzyl-4-[(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-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

C200-5181

Molecular Formula

C34H39N5O5S (C34 H39 N5 O5 S)

Compound Name

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

IUPAC name

N-benzyl-4-[(1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-24-dioxo-1H2H3H4H-thieno[32-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(CN(c1c(C(N2CC(CC3)CCC3C(NCc3ccccc3)=O)=O)scc1)C2=O)=O

InChI

InChI=1S/C34H39N5O5S/c1-44-29-10-6-5-9-27(29)36-16-18-37(19-17-36)30(40)23-38-28-15-20-45-31(28)33(42)39(34(38)43)22-25-11-13-26(14-12-25)32(41)35-21-24-7-3-2-4-8-24/h2-10,15,20,25-26H,11-14,16-19,21-23H2,1H3,(H,35,41)

InChI Key

YPAXQECNSKZJGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.25

Polar Surface Area

83.873

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C200-5181 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5181?
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What is the minimum amount of C200-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5181
  • 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 C200-5181 available by request