8007-2758 Screening compound: 4-butoxy-N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

8007-2758 Screening compound: 4-butoxy-N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
8007-2758 Screening compound: 4-butoxy-N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2758
4-butoxy-N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]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

8007-2758

Molecular Formula

C30H33N3O3S2 (C30 H33 N3 O3 S2)

Compound Name

4-butoxy-N-(2-{[2-(mesitylamino)-1-methyl-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-butoxy-N-[2-({1-[(246-trimethylphenyl)carbamoyl]ethyl}sulfanyl)-13-benzothiazol-6-yl]benzamide

SMILES

CCCCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SC(C)C(Nc1c(C)cc(C)cc1C)=O)s2)=O

InChI

InChI=1S/C30H33N3O3S2/c1-6-7-14-36-24-11-8-22(9-12-24)29(35)31-23-10-13-25-26(17-23)38-30(32-25)37-21(5)28(34)33-27-19(3)15-18(2)16-20(27)4/h8-13,15-17,21H,6-7,14H2,1-5H3,(H,31,35)(H,33,34)/t21-/m0/s1

InChI Key

VASPUDVIJAXXHO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00762658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.74

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

7.764

Distribution Coefficient, logD

7.764

Water Solubility, LogSw

-5.57

Polar Surface Area

61.524

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8007-2758 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8007-2758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2758?
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What is the minimum amount of 8007-2758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2758
  • 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 8007-2758 available by request