8009-3082 Screening compound: N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

8009-3082 Screening compound: N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
8009-3082 Screening compound: N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3082
N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

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

8009-3082

Molecular Formula

C27H20BrN3O2S2 (C27 H20 BrN3 O2 S2)

Compound Name

N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-(4-bromophenyl)-2-({6-[2-(naphthalen-1-yl)acetamido]-13-benzothiazol-2-yl}sulfanyl)acetamide

SMILES

O=C(Cc1cccc2ccccc12)Nc(cc1)cc2c1nc(SCC(Nc(cc1)ccc1Br)=O)s2

InChI

InChI=1S/C27H20BrN3O2S2/c28-19-8-10-20(11-9-19)29-26(33)16-34-27-31-23-13-12-21(15-24(23)35-27)30-25(32)14-18-6-3-5-17-4-1-2-7-22(17)18/h1-13,15H,14,16H2,(H,29,33)(H,30,32)

InChI Key

RIHQWBTXKKLZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.158

Distribution Coefficient, logD

7.158

Water Solubility, LogSw

-7.16

Polar Surface Area

54.804

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

8009-3082 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8009-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3082?
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What is the minimum amount of 8009-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3082
  • 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 8009-3082 available by request