D101-0418 Screening compound: 3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide

D101-0418 Screening compound: 3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide
D101-0418 Screening compound: 3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0418
3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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

D101-0418

Molecular Formula

C21H17ClN4O4 (C21 H17 ClN4 O4)

Compound Name

3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-5-methyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCc2nc(-c(cc3)ccc3OC)no2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H17ClN4O4/c1-12-18(19(25-29-12)15-5-3-4-6-16(15)22)21(27)23-11-17-24-20(26-30-17)13-7-9-14(28-2)10-8-13/h3-10H,11H2,1-2H3,(H,23,27)

InChI Key

XEVSZFONHFQZPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07638038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.69

Polar Surface Area

85.499

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D101-0418 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D101-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0418?
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What is the minimum amount of D101-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0418
  • 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 D101-0418 available by request