F694-0641 Screening compound: 3-methyl-N-[3-({[(4-methylphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide

F694-0641 Screening compound: 3-methyl-N-[3-({[(4-methylphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide
F694-0641 Screening compound: 3-methyl-N-[3-({[(4-methylphenyl)methyl]carbamoyl}amino)-4-(pyrrolidin-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0641
3-methyl-N-[3-({[(4-methylphenyl)methyl]carbamoyl}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

F694-0641

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(Nc(cc(cc2)NC(c3cc(C)ccc3)=O)c2N2CCCC2)=O)cc1

InChI

InChI=1S/C27H30N4O2/c1-19-8-10-21(11-9-19)18-28-27(33)30-24-17-23(12-13-25(24)31-14-3-4-15-31)29-26(32)22-7-5-6-20(2)16-22/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,29,32)(H2,28,30,33)

InChI Key

KZRIJVGCIGMVGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.02

Polar Surface Area

59.774

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

F694-0641 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 F694-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0641?
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What is the minimum amount of F694-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0641
  • 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 F694-0641 available by request