D233-0688 Screening compound: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

D233-0688 Screening compound: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide
D233-0688 Screening compound: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0688
5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(prop-2-en-1-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

D233-0688

Molecular Formula

C17H15ClN4O2S2 (C17 H15 ClN4 O2 S2)

Compound Name

5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(6-ethoxy-13-benzothiazol-2-yl)-2-(prop-2-en-1-ylsulfanyl)pyrimidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(c(nc(nc1)SCC=C)c1Cl)=O)s2

InChI

InChI=1S/C17H15ClN4O2S2/c1-3-7-25-16-19-9-11(18)14(21-16)15(23)22-17-20-12-6-5-10(24-4-2)8-13(12)26-17/h3,5-6,8-9H,1,4,7H2,2H3,(H,20,22,23)

InChI Key

FGKQKQZTOSVEJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.87

Polar Surface Area

58.800

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D233-0688 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D233-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0688?
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What is the minimum amount of D233-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0688
  • 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 D233-0688 available by request