F694-0621 Screening compound: N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide

F694-0621 Screening compound: N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide
F694-0621 Screening compound: N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F694-0621
N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide

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

F694-0621

Molecular Formula

C26H27ClN4O2 (C26 H27 ClN4 O2)

Compound Name

N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide

IUPAC name

N-(3-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-4-(pyrrolidin-1-yl)phenyl)-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc(NC(Nc3cccc(Cl)c3C)=O)c2N2CCCC2)=O)c1

InChI

InChI=1S/C26H27ClN4O2/c1-17-7-5-8-19(15-17)25(32)28-20-11-12-24(31-13-3-4-14-31)23(16-20)30-26(33)29-22-10-6-9-21(27)18(22)2/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,32)(H2,29,30,33)

InChI Key

CNVALLUCOKMSBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.98

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

6.383

Distribution Coefficient, logD

6.376

Water Solubility, LogSw

-6.20

Polar Surface Area

57.755

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F694-0621 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F694-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F694-0621?
Check Price and Availability of F694-0621, 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 F694-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F694-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F694-0621
  • 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 F694-0621 available by request