F694-0595 Screening compound: 3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}benzamide

F694-0595 Screening compound: 3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}benzamide
F694-0595 Screening compound: 3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0595
3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}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

F694-0595

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}benzamide

IUPAC name

3-methyl-N-{3-[(phenylcarbamoyl)amino]-4-(pyrrolidin-1-yl)phenyl}benzamide

SMILES

Cc1cccc(C(Nc(cc2)cc(NC(Nc3ccccc3)=O)c2N2CCCC2)=O)c1

InChI

InChI=1S/C25H26N4O2/c1-18-8-7-9-19(16-18)24(30)26-21-12-13-23(29-14-5-6-15-29)22(17-21)28-25(31)27-20-10-3-2-4-11-20/h2-4,7-13,16-17H,5-6,14-15H2,1H3,(H,26,30)(H2,27,28,31)

InChI Key

VWTHJLPCAZQMDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.37

Polar Surface Area

58.452

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F694-0595 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F694-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0595?
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What is the minimum amount of F694-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0595
  • 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 F694-0595 available by request