C200-5187 Screening compound: 4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-pentylcyclohexane-1-carboxamide

C200-5187 Screening compound: 4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-pentylcyclohexane-1-carboxamide
C200-5187 Screening compound: 4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-pentylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5187
4-{[1-({[(2,3-dimethoxyphenyl)methyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-d]pyrimidin-3-yl]methyl}-N-pentylcyclohexane-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

C200-5187

Molecular Formula

C30H40N4O6S (C30 H40 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCNC(C1CCC(CN(C(c(scc2)c2N2CC(NCc(cccc3OC)c3OC)=O)=O)C2=O)CC1)=O

InChI

InChI=1S/C30H40N4O6S/c1-4-5-6-15-31-28(36)21-12-10-20(11-13-21)18-34-29(37)27-23(14-16-41-27)33(30(34)38)19-25(35)32-17-22-8-7-9-24(39-2)26(22)40-3/h7-9,14,16,20-21H,4-6,10-13,15,17-19H2,1-3H3,(H,31,36)(H,32,35)

InChI Key

DYBHTKXSOWUQEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.972

Distribution Coefficient, logD

4.972

Water Solubility, LogSw

-4.59

Polar Surface Area

96.823

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

C200-5187 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C200-5187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5187?
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What is the minimum amount of C200-5187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5187
  • 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 C200-5187 available by request