8007-5573 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide

8007-5573 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide
8007-5573 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5573
N-[2-({[(4-acetylphenyl)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

8007-5573

Molecular Formula

C28H27N3O4S2 (C28 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H27N3O4S2/c1-3-4-15-35-23-12-7-20(8-13-23)27(34)30-22-11-14-24-25(16-22)37-28(31-24)36-17-26(33)29-21-9-5-19(6-10-21)18(2)32/h5-14,16H,3-4,15,17H2,1-2H3,(H,29,33)(H,30,34)

InChI Key

CZIABBYAOYPMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.114

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-5.29

Polar Surface Area

76.533

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8007-5573 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 8007-5573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5573?
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What is the minimum amount of 8007-5573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5573
  • 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 8007-5573 available by request