V014-4091 Screening compound: N2-(3-FLUOROBENZYL)-N2-(4-{2-[(2-FURYLMETHYL)(METHYL)AMINO]-2-OXOETHYL}PHENYL)-2-THIOPHENECARBOXAMIDE

V014-4091 Screening compound: N2-(3-FLUOROBENZYL)-N2-(4-{2-[(2-FURYLMETHYL)(METHYL)AMINO]-2-OXOETHYL}PHENYL)-2-THIOPHENECARBOXAMIDE
V014-4091 Screening compound: N2-(3-FLUOROBENZYL)-N2-(4-{2-[(2-FURYLMETHYL)(METHYL)AMINO]-2-OXOETHYL}PHENYL)-2-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4091
N2-(3-FLUOROBENZYL)-N2-(4-{2-[(2-FURYLMETHYL)(METHYL)AMINO]-2-OXOETHYL}PHENYL)-2-THIOPHENECARBOXAMIDE

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

V014-4091

Molecular Formula

C26H23FN2O3S (C26 H23 FN2 O3 S)

Compound Name

N2-(3-FLUOROBENZYL)-N2-(4-{2-[(2-FURYLMETHYL)(METHYL)AMINO]-2-OXOETHYL}PHENYL)-2-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

CN(Cc1ccco1)C(Cc(cc1)ccc1N(Cc1cc(F)ccc1)C(c1cccs1)=O)=O

InChI

InChI=1S/C26H23FN2O3S/c1-28(18-23-7-3-13-32-23)25(30)16-19-9-11-22(12-10-19)29(26(31)24-8-4-14-33-24)17-20-5-2-6-21(27)15-20/h2-15H,16-18H2,1H3

InChI Key

KPRPSIFIRDTAFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.155

Water Solubility, LogSw

-5.05

Polar Surface Area

39.980

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V014-4091 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 V014-4091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4091?
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What is the minimum amount of V014-4091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4091
  • 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 V014-4091 available by request