G645-0236 Screening compound: 4-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

G645-0236 Screening compound: 4-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide
G645-0236 Screening compound: 4-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0236
4-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

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

G645-0236

Molecular Formula

C17H15BrN2O2S (C17 H15 BrN2 O2 S)

Compound Name

4-bromo-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-bromo-N-(2-oxo-3-propyl-23-dihydro-13-benzothiazol-6-yl)benzamide

SMILES

CCCN(c(ccc(NC(c(cc1)ccc1Br)=O)c1)c1S1)C1=O

InChI

InChI=1S/C17H15BrN2O2S/c1-2-9-20-14-8-7-13(10-15(14)23-17(20)22)19-16(21)11-3-5-12(18)6-4-11/h3-8,10H,2,9H2,1H3,(H,19,21)

InChI Key

KWIDXHLIWOIDIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.004

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.57

Polar Surface Area

39.152

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G645-0236 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with G645-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0236?
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What is the minimum amount of G645-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0236
  • 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 G645-0236 available by request