C200-4002 Screening compound: 2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide

C200-4002 Screening compound: 2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide
C200-4002 Screening compound: 2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4002
2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-methylphenyl)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

C200-4002

Molecular Formula

C28H28N4O4S2 (C28 H28 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N1C(SCC(Nc2ccc(C)cc2)=O)=Nc(sc(C2)c3CCN2C(C)=O)c3C1=O

InChI

InChI=1S/C28H28N4O4S2/c1-4-36-21-11-9-20(10-12-21)32-27(35)25-22-13-14-31(18(3)33)15-23(22)38-26(25)30-28(32)37-16-24(34)29-19-7-5-17(2)6-8-19/h5-12H,4,13-16H2,1-3H3,(H,29,34)

InChI Key

NSMIUEJWUQKKNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.24

Polar Surface Area

72.384

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C200-4002 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 C200-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4002?
Check Price and Availability of C200-4002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4002
  • 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 C200-4002 available by request