V015-1595 Screening compound: 5-{[(3-cyanoanilino)carbonyl]amino}-N-cyclopropyl-2-(1-pyrrolidinyl)benzamide

V015-1595 Screening compound: 5-{[(3-cyanoanilino)carbonyl]amino}-N-cyclopropyl-2-(1-pyrrolidinyl)benzamide
V015-1595 Screening compound: 5-{[(3-cyanoanilino)carbonyl]amino}-N-cyclopropyl-2-(1-pyrrolidinyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1595
5-{[(3-cyanoanilino)carbonyl]amino}-N-cyclopropyl-2-(1-pyrrolidinyl)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

V015-1595

Molecular Formula

C22H23N5O2 (C22 H23 N5 O2)

Compound Name

5-{[(3-cyanoanilino)carbonyl]amino}-N-cyclopropyl-2-(1-pyrrolidinyl)benzamide

IUPAC name

5-{[(3-cyanophenyl)carbamoyl]amino}-N-cyclopropyl-2-(pyrrolidin-1-yl)benzamide

SMILES

N#Cc1cccc(NC(Nc(cc2)cc(C(NC3CC3)=O)c2N2CCCC2)=O)c1

InChI

InChI=1S/C22H23N5O2/c23-14-15-4-3-5-17(12-15)25-22(29)26-18-8-9-20(27-10-1-2-11-27)19(13-18)21(28)24-16-6-7-16/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2,(H,24,28)(H2,25,26,29)

InChI Key

OLGBRXJQXDAOPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240678

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.24

Polar Surface Area

77.585

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

V015-1595 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V015-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1595?
Check Price and Availability of V015-1595, 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 V015-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1595
  • 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 V015-1595 available by request