4130-3281 Screening compound: 1,3-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzene-1,3-dicarboxylate

4130-3281 Screening compound: 1,3-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzene-1,3-dicarboxylate
4130-3281 Screening compound: 1,3-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-3281
1,3-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzene-1,3-dicarboxylate

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

4130-3281

Molecular Formula

C21H17ClN2O6 (C21 H17 ClN2 O6)

Compound Name

1,3-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]benzene-13-dicarboxylate

SMILES

Cc1c(C(Nc2cc(C(OC)=O)cc(C(OC)=O)c2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H17ClN2O6/c1-11-17(18(24-30-11)15-6-4-5-7-16(15)22)19(25)23-14-9-12(20(26)28-2)8-13(10-14)21(27)29-3/h4-10H,1-3H3,(H,23,25)

InChI Key

RPLUZKVQVMPDLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.83

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.75

Polar Surface Area

87.638

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4130-3281 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4130-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-3281?
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What is the minimum amount of 4130-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-3281
  • 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 4130-3281 available by request