3136-0489 Screening compound: 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide

3136-0489 Screening compound: 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
3136-0489 Screening compound: 3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-0489
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-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

3136-0489

Molecular Formula

C18H14ClN3O5 (C18 H14 ClN3 O5)

Compound Name

3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(ccc([N+]([O-])=O)c2)c2OC)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C18H14ClN3O5/c1-10-16(17(21-27-10)12-5-3-4-6-13(12)19)18(23)20-14-8-7-11(22(24)25)9-15(14)26-2/h3-9H,1-2H3,(H,20,23)

InChI Key

WTDYBJREKHVEED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-4.50

Polar Surface Area

85.604

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3136-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-0489?
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What is the minimum amount of 3136-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-0489
  • 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 3136-0489 available by request