8017-2840 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide

8017-2840 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide
8017-2840 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2840
N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide

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

8017-2840

Molecular Formula

C23H17Cl2N3O3 (C23 H17 Cl2 N3 O3)

Compound Name

N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide

IUPAC name

N-{2-[5-(34-dichlorophenyl)-134-oxadiazol-2-yl]phenyl}-2-phenoxypropanamide

SMILES

CC(C(Nc(cccc1)c1-c1nnc(-c(cc2)cc(Cl)c2Cl)o1)=O)Oc1ccccc1

InChI

InChI=1S/C23H17Cl2N3O3/c1-14(30-16-7-3-2-4-8-16)21(29)26-20-10-6-5-9-17(20)23-28-27-22(31-23)15-11-12-18(24)19(25)13-15/h2-14H,1H3,(H,26,29)/t14-/m0/s1

InChI Key

NXYUYMYIQIECNJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06015608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-5.92

Polar Surface Area

59.665

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

8017-2840 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 8017-2840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2840?
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What is the minimum amount of 8017-2840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2840
  • 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 8017-2840 available by request