8009-2871 Screening compound: 4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

8009-2871 Screening compound: 4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
8009-2871 Screening compound: 4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2871
4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-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

8009-2871

Molecular Formula

C28H29N3O3S2 (C28 H29 N3 O3 S2)

Compound Name

4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

4-tert-butyl-N-[2-({[(2-phenoxyethyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(NCCOc1ccccc1)=O)s2)=O

InChI

InChI=1S/C28H29N3O3S2/c1-28(2,3)20-11-9-19(10-12-20)26(33)30-21-13-14-23-24(17-21)36-27(31-23)35-18-25(32)29-15-16-34-22-7-5-4-6-8-22/h4-14,17H,15-16,18H2,1-3H3,(H,29,32)(H,30,33)

InChI Key

XFHGMBPNFAUPBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.69

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

6.820

Distribution Coefficient, logD

6.820

Water Solubility, LogSw

-5.61

Polar Surface Area

63.870

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8009-2871 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2871?
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What is the minimum amount of 8009-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2871
  • 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 8009-2871 available by request