C210-0002 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide

C210-0002 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-methyl-4-oxo-5-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-3H,4H-thieno[2,3-d]pyrimidin-3-yl)acetamide
C210-0002 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-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 C210-0002
N-(6-methoxy-1,3-benzothiazol-2-yl)-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

C210-0002

Molecular Formula

C25H24N8O5S3 (C25 H24 N8 O5 S3)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-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-(6-methoxy-13-benzothiazol-2-yl)-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(Nc2nc(ccc(OC)c3)c3s2)=O)c2C1=O)c2S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C25H24N8O5S3/c1-15-21(41(36,37)33-10-8-31(9-11-33)24-26-6-3-7-27-24)20-22(39-15)28-14-32(23(20)35)13-19(34)30-25-29-17-5-4-16(38-2)12-18(17)40-25/h3-7,12,14H,8-11,13H2,1-2H3,(H,29,30,34)

InChI Key

SJIPZLSMWJAFCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.71

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.45

Polar Surface Area

120.029

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C210-0002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C210-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C210-0002?
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What is the minimum amount of C210-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C210-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C210-0002
  • 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 C210-0002 available by request