G645-0211 Screening compound: 2-bromo-5-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

G645-0211 Screening compound: 2-bromo-5-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide
G645-0211 Screening compound: 2-bromo-5-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G645-0211
2-bromo-5-methoxy-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

G645-0211

Molecular Formula

C18H17BrN2O3S (C18 H17 BrN2 O3 S)

Compound Name

2-bromo-5-methoxy-N-(2-oxo-3-propyl-2,3-dihydro-1,3-benzothiazol-6-yl)benzamide

IUPAC name

2-bromo-5-methoxy-N-(2-oxo-3-propyl-23-dihydro-13-benzothiazol-6-yl)benzamide

SMILES

CCCN(c(ccc(NC(c(cc(cc1)OC)c1Br)=O)c1)c1S1)C1=O

InChI

InChI=1S/C18H17BrN2O3S/c1-3-8-21-15-7-4-11(9-16(15)25-18(21)23)20-17(22)13-10-12(24-2)5-6-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,20,22)

InChI Key

QRBPZVILRLXTIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.50

Polar Surface Area

46.696

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G645-0211 in Drug Discovery

Included in Screening Libraries

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 G645-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G645-0211?
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What is the minimum amount of G645-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G645-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G645-0211
  • 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 G645-0211 available by request