4100-2882 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

4100-2882 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
4100-2882 Screening compound: 3-(2,6-dichlorophenyl)-5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-2882
3-(2,6-dichlorophenyl)-5-methyl-N-(6-methyl-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

4100-2882

Molecular Formula

C19H13Cl2N3O2S (C19 H13 Cl2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H13Cl2N3O2S/c1-9-6-7-13-14(8-9)27-19(22-13)23-18(25)15-10(2)26-24-17(15)16-11(20)4-3-5-12(16)21/h3-8H,1-2H3,(H,22,23,25)

InChI Key

XVVXRARSJHKFEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01349216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-6.26

Polar Surface Area

55.051

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4100-2882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-2882?
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What is the minimum amount of 4100-2882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-2882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-2882
  • 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 4100-2882 available by request