8007-7453 Screening compound: N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide

8007-7453 Screening compound: N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide
8007-7453 Screening compound: N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7453
N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide

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

8007-7453

Molecular Formula

C26H24BrN3O3S2 (C26 H24 BrN3 O3 S2)

Compound Name

N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide

IUPAC name

N-[2-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1Br)=O)s2)=O

InChI

InChI=1S/C26H24BrN3O3S2/c1-2-3-14-33-21-11-4-17(5-12-21)25(32)29-20-10-13-22-23(15-20)35-26(30-22)34-16-24(31)28-19-8-6-18(27)7-9-19/h4-13,15H,2-3,14,16H2,1H3,(H,28,31)(H,29,32)

InChI Key

UUCVMWDVKAGXHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.406

Distribution Coefficient, logD

7.406

Water Solubility, LogSw

-5.52

Polar Surface Area

62.707

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8007-7453 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8007-7453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7453?
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What is the minimum amount of 8007-7453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7453
  • 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 8007-7453 available by request