8017-2835 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenyl-1-cyclopropanecarboxamide

8017-2835 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenyl-1-cyclopropanecarboxamide
8017-2835 Screening compound: N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenyl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2835
N~1~-{2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-phenyl-1-cyclopropanecarboxamide

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

8017-2835

Molecular Formula

C24H17Cl2N3O2 (C24 H17 Cl2 N3 O2)

Compound Name

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

IUPAC name

N-{2-[5-(34-dichlorophenyl)-134-oxadiazol-2-yl]phenyl}-2-phenylcyclopropane-1-carboxamide

SMILES

O=C(C(C1)C1c1ccccc1)Nc(cccc1)c1-c1nnc(-c(cc2)cc(Cl)c2Cl)o1

InChI

InChI=1S/C24H17Cl2N3O2/c25-19-11-10-15(12-20(19)26)23-28-29-24(31-23)16-8-4-5-9-21(16)27-22(30)18-13-17(18)14-6-2-1-3-7-14/h1-12,17-18H,13H2,(H,27,30)

InChI Key

VIGNBLKVVHKBCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.090

Distribution Coefficient, logD

6.090

Water Solubility, LogSw

-6.22

Polar Surface Area

53.128

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

8017-2835 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 8017-2835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2835?
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What is the minimum amount of 8017-2835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2835
  • 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 8017-2835 available by request