C066-2373 Screening compound: ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamido]benzoate

C066-2373 Screening compound: ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamido]benzoate
C066-2373 Screening compound: ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2373
ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamido]benzoate

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

C066-2373

Molecular Formula

C26H27N7O6S2 (C26 H27 N7 O6 S2)

Compound Name

ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamido]benzoate

IUPAC name

ethyl 3-[2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-3-yl)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(CN(C=Nc2c3c(S(N(CC4)CCN4c4ncccn4)(=O)=O)c(C)s2)C3=O)=O)c1)=O

InChI

InChI=1S/C26H27N7O6S2/c1-3-39-25(36)18-6-4-7-19(14-18)30-20(34)15-32-16-29-23-21(24(32)35)22(17(2)40-23)41(37,38)33-12-10-31(11-13-33)26-27-8-5-9-28-26/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,30,34)

InChI Key

RSWGDXIADHXIAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.68

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.866

Water Solubility, LogSw

-3.32

Polar Surface Area

123.478

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C066-2373 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C066-2373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2373?
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What is the minimum amount of C066-2373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2373
  • 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 C066-2373 available by request