D169-0478 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea

D169-0478 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea
D169-0478 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0478
1-{[3-(3,4-dimethoxyphenyl)-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

D169-0478

Molecular Formula

C18H24N4O4 (C18 H24 N4 O4)

Compound Name

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

IUPAC name

1-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-1-(prop-2-en-1-yl)-3-propylurea

SMILES

CCCNC(N(CC=C)Cc1nc(-c(cc2)cc(OC)c2OC)no1)=O

InChI

InChI=1S/C18H24N4O4/c1-5-9-19-18(23)22(10-6-2)12-16-20-17(21-26-16)13-7-8-14(24-3)15(11-13)25-4/h6-8,11H,2,5,9-10,12H2,1,3-4H3,(H,19,23)

InChI Key

FYWMRAPUELWSKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.36

Polar Surface Area

73.288

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D169-0478 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D169-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0478?
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What is the minimum amount of D169-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0478
  • 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 D169-0478 available by request