4130-5662 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

4130-5662 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
4130-5662 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5662
3-(2,6-dichlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

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

4130-5662

Molecular Formula

C18H10Cl2N4O4S (C18 H10 Cl2 N4 O4 S)

Compound Name

3-(2,6-dichlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

IUPAC name

3-(26-dichlorophenyl)-5-methyl-N-(6-nitro-13-benzothiazol-2-yl)-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2nc(ccc([N+]([O-])=O)c3)c3s2)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C18H10Cl2N4O4S/c1-8-14(16(23-28-8)15-10(19)3-2-4-11(15)20)17(25)22-18-21-12-6-5-9(24(26)27)7-13(12)29-18/h2-7H,1H3,(H,21,22,25)

InChI Key

OZMLQDFPOODVOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02006440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-5.28

Polar Surface Area

88.433

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4130-5662 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 4130-5662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5662?
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What is the minimum amount of 4130-5662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5662
  • 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 4130-5662 available by request