D169-0198 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea

D169-0198 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
D169-0198 Screening compound: 1-(3-chlorophenyl)-3-ethyl-3-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D169-0198
1-(3-chlorophenyl)-3-ethyl-3-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

D169-0198

Molecular Formula

C19H19ClN4O2 (C19 H19 ClN4 O2)

Compound Name

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

IUPAC name

1-(3-chlorophenyl)-3-ethyl-3-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}urea

SMILES

CCN(Cc1nc(-c2ccc(C)cc2)no1)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C19H19ClN4O2/c1-3-24(19(25)21-16-6-4-5-15(20)11-16)12-17-22-18(23-26-17)14-9-7-13(2)8-10-14/h4-11H,3,12H2,1-2H3,(H,21,25)

InChI Key

AHDTVNXYUBUNPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.67

Polar Surface Area

56.338

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D169-0198 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D169-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D169-0198?
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What is the minimum amount of D169-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D169-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D169-0198
  • 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 D169-0198 available by request