D169-0137 Screening compound: 1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea

D169-0137 Screening compound: 1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea
D169-0137 Screening compound: 1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0137
1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-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

D169-0137

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea

IUPAC name

1-(2-methoxyphenyl)-3-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-3-(prop-2-en-1-yl)urea

SMILES

Cc1cccc(-c2noc(CN(CC=C)C(Nc(cccc3)c3OC)=O)n2)c1

InChI

InChI=1S/C21H22N4O3/c1-4-12-25(21(26)22-17-10-5-6-11-18(17)27-3)14-19-23-20(24-28-19)16-9-7-8-15(2)13-16/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)

InChI Key

ZPRZSRNGXLUULW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.55

Polar Surface Area

63.524

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D169-0137 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D169-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0137?
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What is the minimum amount of D169-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0137
  • 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 D169-0137 available by request