8009-1122 Screening compound: N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

8009-1122 Screening compound: N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
8009-1122 Screening compound: N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1122
N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)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

8009-1122

Molecular Formula

C26H24N4O3S3 (C26 H24 N4 O3 S3)

Compound Name

N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-1,3-benzothiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-cyclopropyl-2-({6-[2-({[(naphthalen-2-yl)carbamoyl]methyl}sulfanyl)acetamido]-13-benzothiazol-2-yl}sulfanyl)acetamide

SMILES

O=C(CSc1nc(ccc(NC(CSCC(Nc2cc3ccccc3cc2)=O)=O)c2)c2s1)NC1CC1

InChI

InChI=1S/C26H24N4O3S3/c31-23(28-19-6-5-16-3-1-2-4-17(16)11-19)13-34-14-24(32)29-20-9-10-21-22(12-20)36-26(30-21)35-15-25(33)27-18-7-8-18/h1-6,9-12,18H,7-8,13-15H2,(H,27,33)(H,28,31)(H,29,32)

InChI Key

ZBDAMJGIXCTXOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01199491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.128

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-5.94

Polar Surface Area

79.332

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8009-1122 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1122?
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What is the minimum amount of 8009-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1122
  • 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 8009-1122 available by request