D651-0158 Screening compound: 2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

D651-0158 Screening compound: 2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
D651-0158 Screening compound: 2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D651-0158
2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

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

D651-0158

Molecular Formula

C19H18BrN3O3 (C19 H18 BrN3 O3)

Compound Name

2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

IUPAC name

2-(4-bromophenoxy)-N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]ethyl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(CCNC(COc(cc2)ccc2Br)=O)n1

InChI

InChI=1S/C19H18BrN3O3/c1-13-2-4-14(5-3-13)19-22-18(26-23-19)10-11-21-17(24)12-25-16-8-6-15(20)7-9-16/h2-9H,10-12H2,1H3,(H,21,24)

InChI Key

GIICGRNYKKZVJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.23

Polar Surface Area

63.122

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D651-0158 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D651-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D651-0158?
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What is the minimum amount of D651-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D651-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D651-0158
  • 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 D651-0158 available by request