2652-0275 Screening compound: 4-bromo-N-[6-(4-bromobenzamido)-1,3-benzothiazol-2-yl]benzamide

2652-0275 Screening compound: 4-bromo-N-[6-(4-bromobenzamido)-1,3-benzothiazol-2-yl]benzamide
2652-0275 Screening compound: 4-bromo-N-[6-(4-bromobenzamido)-1,3-benzothiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2652-0275
4-bromo-N-[6-(4-bromobenzamido)-1,3-benzothiazol-2-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

2652-0275

Molecular Formula

C21H13Br2N3O2S (C21 H13 Br2 N3 O2 S)

Compound Name

4-bromo-N-[6-(4-bromobenzamido)-1,3-benzothiazol-2-yl]benzamide

IUPAC name

4-bromo-N-[6-(4-bromobenzamido)-13-benzothiazol-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1Br)Nc1nc(ccc(NC(c(cc2)ccc2Br)=O)c2)c2s1

InChI

InChI=1S/C21H13Br2N3O2S/c22-14-5-1-12(2-6-14)19(27)24-16-9-10-17-18(11-16)29-21(25-17)26-20(28)13-3-7-15(23)8-4-13/h1-11H,(H,24,27)(H,25,26,28)

InChI Key

GAAWJJSBQDFUBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.498

Distribution Coefficient, logD

6.476

Water Solubility, LogSw

-6.20

Polar Surface Area

56.182

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2652-0275 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2652-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2652-0275?
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What is the minimum amount of 2652-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2652-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2652-0275
  • 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 2652-0275 available by request