D169-0226 Screening compound: 1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea

D169-0226 Screening compound: 1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea
D169-0226 Screening compound: 1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0226
1-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea

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

D169-0226

Molecular Formula

C17H22N4O2 (C17 H22 N4 O2)

Compound Name

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

IUPAC name

1-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea

SMILES

CCCNC(N(CC=C)Cc1nc(-c2ccc(C)cc2)no1)=O

InChI

InChI=1S/C17H22N4O2/c1-4-10-18-17(22)21(11-5-2)12-15-19-16(20-23-15)14-8-6-13(3)7-9-14/h5-9H,2,4,10-12H2,1,3H3,(H,18,22)

InChI Key

QCXNIPWMVZXGIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-3.93

Polar Surface Area

58.027

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with D169-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0226?
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What is the minimum amount of D169-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0226
  • 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 D169-0226 available by request