V013-9045 Screening compound: N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

V013-9045 Screening compound: N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
V013-9045 Screening compound: N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9045
N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-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

V013-9045

Molecular Formula

C28H25F2N3O3 (C28 H25 F2 N3 O3)

Compound Name

N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

IUPAC name

N-{[2-(dimethylamino)-5-(3-fluorobenzamido)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

SMILES

CN(C)c(cc1)c(CN(Cc2cc(F)ccc2)C(c2ccco2)=O)cc1NC(c1cccc(F)c1)=O

InChI

InChI=1S/C28H25F2N3O3/c1-32(2)25-12-11-24(31-27(34)20-7-4-9-23(30)15-20)16-21(25)18-33(28(35)26-10-5-13-36-26)17-19-6-3-8-22(29)14-19/h3-16H,17-18H2,1-2H3,(H,31,34)

InChI Key

IVDDRDGRDSWOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796319

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-5.09

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V013-9045 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V013-9045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9045?
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What is the minimum amount of V013-9045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9045
  • 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 V013-9045 available by request