C200-3682 Screening compound: 2-{[7-acetyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2,4-difluorophenyl)acetamide

C200-3682 Screening compound: 2-{[7-acetyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2,4-difluorophenyl)acetamide
C200-3682 Screening compound: 2-{[7-acetyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3682
2-{[7-acetyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2,4-difluorophenyl)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

C200-3682

Molecular Formula

C26H22F2N4O4S2 (C26 H22 F2 N4 O4 S2)

Compound Name

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

IUPAC name

2-{[11-acetyl-4-(4-methoxyphenyl)-3-oxo-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}-N-(24-difluorophenyl)acetamide

SMILES

CC(N(CC1)Cc2c1c(C(N(c(cc1)ccc1OC)C(SCC(Nc(ccc(F)c1)c1F)=O)=N1)=O)c1s2)=O

InChI

InChI=1S/C26H22F2N4O4S2/c1-14(33)31-10-9-18-21(12-31)38-24-23(18)25(35)32(16-4-6-17(36-2)7-5-16)26(30-24)37-13-22(34)29-20-8-3-15(27)11-19(20)28/h3-8,11H,9-10,12-13H2,1-2H3,(H,29,34)

InChI Key

NMFAPJLONZWSEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-4.09

Polar Surface Area

72.107

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C200-3682 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 C200-3682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3682?
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What is the minimum amount of C200-3682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3682
  • 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 C200-3682 available by request