D169-0463 Screening compound: 1-(4-chlorophenyl)-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(propan-2-yl)urea

D169-0463 Screening compound: 1-(4-chlorophenyl)-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(propan-2-yl)urea
D169-0463 Screening compound: 1-(4-chlorophenyl)-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0463
1-(4-chlorophenyl)-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-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

D169-0463

Molecular Formula

C21H23ClN4O4 (C21 H23 ClN4 O4)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-3-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-3-(propan-2-yl)urea

SMILES

CC(C)N(Cc1nc(-c(cc2)cc(OC)c2OC)no1)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H23ClN4O4/c1-13(2)26(21(27)23-16-8-6-15(22)7-9-16)12-19-24-20(25-30-19)14-5-10-17(28-3)18(11-14)29-4/h5-11,13H,12H2,1-4H3,(H,23,27)

InChI Key

LPRWXAUILCODBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.87

Polar Surface Area

71.618

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D169-0463 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D169-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0463?
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What is the minimum amount of D169-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0463
  • 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 D169-0463 available by request