C210-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C210-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C210-0013 Screening compound: N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C210-0013
N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)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

C210-0013

Molecular Formula

C24H24FN7O4S2 (C24 H24 FN7 O4 S2)

Compound Name

N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H4H-thieno[23-d]pyrimidin-3-yl)acetamide

SMILES

Cc(sc(N=CN1CC(Nc2cc(F)c(C)cc2)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C24H24FN7O4S2/c1-15-4-5-17(12-18(15)25)29-19(33)13-31-14-28-22-20(23(31)34)21(16(2)37-22)38(35,36)32-10-8-30(9-11-32)24-26-6-3-7-27-24/h3-7,12,14H,8-11,13H2,1-2H3,(H,29,33)

InChI Key

JWVRMVCQLPIQJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-3.17

Polar Surface Area

102.724

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C210-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C210-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C210-0013?
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What is the minimum amount of C210-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C210-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C210-0013
  • 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 C210-0013 available by request