8013-7705 Screening compound: ethyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate

8013-7705 Screening compound: ethyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate
8013-7705 Screening compound: ethyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7705
ethyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate

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

8013-7705

Molecular Formula

C20H13Cl2F6N3O3S (C20 H13 Cl2 F6 N3 O3 S)

Compound Name

ethyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-({2-[(24-dichlorophenyl)formamido]-111333-hexafluoropropan-2-yl}amino)-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(C(F)(F)F)(C(F)(F)F)NC(c(ccc(Cl)c1)c1Cl)=O)s2)=O

InChI

InChI=1S/C20H13Cl2F6N3O3S/c1-2-34-16(33)9-3-6-13-14(7-9)35-17(29-13)31-18(19(23,24)25,20(26,27)28)30-15(32)11-5-4-10(21)8-12(11)22/h3-8H,2H2,1H3,(H,29,31)(H,30,32)

InChI Key

OQBUBDDHZQYGCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.183

Distribution Coefficient, logD

0.057

Water Solubility, LogSw

-6.42

Polar Surface Area

64.042

Acid Dissociation Constant (pKa)

0.27

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-7705 in Drug Discovery

Included in Screening Libraries

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 8013-7705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7705?
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What is the minimum amount of 8013-7705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7705
  • 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 8013-7705 available by request