D233-0813 Screening compound: 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

D233-0813 Screening compound: 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide
D233-0813 Screening compound: 5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0813
5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

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

D233-0813

Molecular Formula

C16H15ClN4O2S2 (C16 H15 ClN4 O2 S2)

Compound Name

5-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(6-methoxy-13-benzothiazol-2-yl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

CC(C)Sc(nc1)nc(C(Nc2nc(ccc(OC)c3)c3s2)=O)c1Cl

InChI

InChI=1S/C16H15ClN4O2S2/c1-8(2)24-15-18-7-10(17)13(20-15)14(22)21-16-19-11-5-4-9(23-3)6-12(11)25-16/h4-8H,1-3H3,(H,19,21,22)

InChI Key

PEMREZUQIRTVJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07426252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.068

Distribution Coefficient, logD

5.055

Water Solubility, LogSw

-5.45

Polar Surface Area

59.220

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D233-0813 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D233-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0813?
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What is the minimum amount of D233-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0813
  • 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 D233-0813 available by request