C200-3761 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3,4-dimethoxyphenyl)acetamide

C200-3761 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3,4-dimethoxyphenyl)acetamide
C200-3761 Screening compound: 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3761
2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3,4-dimethoxyphenyl)acetamide

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

C200-3761

Molecular Formula

C28H28N4O5S2 (C28 H28 N4 O5 S2)

Compound Name

2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(3,4-dimethoxyphenyl)acetamide

IUPAC name

2-{[11-acetyl-4-(2-methylphenyl)-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}-N-(34-dimethoxyphenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c1c(C)cccc1)C(SCC(Nc(cc1)cc(OC)c1OC)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C28H28N4O5S2/c1-16-7-5-6-8-20(16)32-27(35)25-19-11-12-31(17(2)33)14-23(19)39-26(25)30-28(32)38-15-24(34)29-18-9-10-21(36-3)22(13-18)37-4/h5-10,13H,11-12,14-15H2,1-4H3,(H,29,34)

InChI Key

KTRCXDQPLOESMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.470

Water Solubility, LogSw

-4.07

Polar Surface Area

80.221

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-3761 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-3761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3761?
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What is the minimum amount of C200-3761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3761
  • 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 C200-3761 available by request