2897-1839 Screening compound: 4-tert-butyl-N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

2897-1839 Screening compound: 4-tert-butyl-N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
2897-1839 Screening compound: 4-tert-butyl-N-[2-({[(2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1839
4-tert-butyl-N-[2-({[(2-methoxyphenyl)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

2897-1839

Molecular Formula

C27H27N3O3S2 (C27 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(Nc(cccc1)c1OC)=O)s2)=O

InChI

InChI=1S/C27H27N3O3S2/c1-27(2,3)18-11-9-17(10-12-18)25(32)28-19-13-14-21-23(15-19)35-26(30-21)34-16-24(31)29-20-7-5-6-8-22(20)33-4/h5-15H,16H2,1-4H3,(H,28,32)(H,29,31)

InChI Key

BDLWPQWGHFVHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01205263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

6.686

Water Solubility, LogSw

-5.62

Polar Surface Area

62.222

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2897-1839 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 2897-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1839?
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What is the minimum amount of 2897-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1839
  • 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 2897-1839 available by request