C797-1413 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide

C797-1413 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
C797-1413 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1413
N-{[4-(dimethylamino)phenyl]methyl}-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide

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

C797-1413

Molecular Formula

C30H24F2N4O (C30 H24 F2 N4 O)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-23-bis(4-fluorophenyl)quinoxaline-6-carboxamide

SMILES

CN(C)c1ccc(CNC(c2ccc3nc(-c(cc4)ccc4F)c(-c(cc4)ccc4F)nc3c2)=O)cc1

InChI

InChI=1S/C30H24F2N4O/c1-36(2)25-14-3-19(4-15-25)18-33-30(37)22-9-16-26-27(17-22)35-29(21-7-12-24(32)13-8-21)28(34-26)20-5-10-23(31)11-6-20/h3-17H,18H2,1-2H3,(H,33,37)

InChI Key

REGQRNWORNBANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.608

Water Solubility, LogSw

-5.40

Polar Surface Area

45.387

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C797-1413 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 C797-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1413?
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What is the minimum amount of C797-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1413
  • 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 C797-1413 available by request