D169-0381 Screening compound: 3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(propan-2-yl)urea

D169-0381 Screening compound: 3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(propan-2-yl)urea
D169-0381 Screening compound: 3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0381
3-ethyl-1-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(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

D169-0381

Molecular Formula

C16H22N4O3 (C16 H22 N4 O3)

Compound Name

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

IUPAC name

3-ethyl-1-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-1-(propan-2-yl)urea

SMILES

CCNC(N(Cc1nc(-c(cc2)ccc2OC)no1)C(C)C)=O

InChI

InChI=1S/C16H22N4O3/c1-5-17-16(21)20(11(2)3)10-14-18-15(19-23-14)12-6-8-13(22-4)9-7-12/h6-9,11H,5,10H2,1-4H3,(H,17,21)

InChI Key

RBKGPXDFZWPJEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09871464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.39

Polar Surface Area

65.120

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D169-0381 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D169-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0381?
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What is the minimum amount of D169-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0381
  • 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 D169-0381 available by request