P074-3792 Screening compound: 4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

P074-3792 Screening compound: 4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}benzamide
P074-3792 Screening compound: 4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P074-3792
4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

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

P074-3792

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl}benzamide

IUPAC name

4-cyano-N-{phenyl[5-(pyrrolidin-1-yl)-134-oxadiazol-2-yl]methyl}benzamide

SMILES

N#Cc(cc1)ccc1C(NC(c1nnc(N2CCCC2)o1)c1ccccc1)=O

InChI

InChI=1S/C21H19N5O2/c22-14-15-8-10-17(11-9-15)19(27)23-18(16-6-2-1-3-7-16)20-24-25-21(28-20)26-12-4-5-13-26/h1-3,6-11,18H,4-5,12-13H2,(H,23,27)/t18-/m1/s1

InChI Key

BPBHGVMVMIQXIB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27562745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.96

Polar Surface Area

75.466

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

P074-3792 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 P074-3792 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P074-3792?
Check Price and Availability of P074-3792, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P074-3792 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P074-3792
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P074-3792
  • 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 P074-3792 available by request