C210-0088 Screening compound: ethyl 2-[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

C210-0088 Screening compound: ethyl 2-[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
C210-0088 Screening compound: ethyl 2-[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 C210-0088
ethyl 2-[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

C210-0088

Molecular Formula

C26H27N7O6S2 (C26 H27 N7 O6 S2)

Compound Name

ethyl 2-[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 2-[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(c(cccc1)c1NC(CN(C=Nc1c2c(S(N(CC3)CCN3c3ncccn3)(=O)=O)c(C)s1)C2=O)=O)=O

InChI

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

InChI Key

LVYDZASTOKLUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732362

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

2.353

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-3.06

Polar Surface Area

122.780

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C210-0088 in Drug Discovery

Included in Screening Libraries

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 C210-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C210-0088?
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What is the minimum amount of C210-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C210-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C210-0088
  • 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 C210-0088 available by request