D169-0292 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea

D169-0292 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea
D169-0292 Screening compound: 3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0292
3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea

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

D169-0292

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

3-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea

IUPAC name

3-{[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl}-1-(4-methylphenyl)-3-(propan-2-yl)urea

SMILES

CC(C)N(Cc1nc(-c(cc2)ccc2Cl)no1)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C20H21ClN4O2/c1-13(2)25(20(26)22-17-10-4-14(3)5-11-17)12-18-23-19(24-27-18)15-6-8-16(21)9-7-15/h4-11,13H,12H2,1-3H3,(H,22,26)

InChI Key

CTZCZMHGJVZLRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-6.01

Polar Surface Area

56.357

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D169-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0292?
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What is the minimum amount of D169-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0292
  • 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 D169-0292 available by request