D169-0456 Screening compound: 1-cyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethylurea

D169-0456 Screening compound: 1-cyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethylurea
D169-0456 Screening compound: 1-cyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0456
1-cyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethylurea

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

D169-0456

Molecular Formula

C20H28N4O4 (C20 H28 N4 O4)

Compound Name

1-cyclohexyl-3-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethylurea

IUPAC name

1-cyclohexyl-3-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-3-ethylurea

SMILES

CCN(Cc1nc(-c(cc2)cc(OC)c2OC)no1)C(NC1CCCCC1)=O

InChI

InChI=1S/C20H28N4O4/c1-4-24(20(25)21-15-8-6-5-7-9-15)13-18-22-19(23-28-18)14-10-11-16(26-2)17(12-14)27-3/h10-12,15H,4-9,13H2,1-3H3,(H,21,25)

InChI Key

YPRTWIAXQFRLBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

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

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.16

Polar Surface Area

72.646

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with D169-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0456?
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What is the minimum amount of D169-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0456
  • 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 D169-0456 available by request