V027-0071 Screening compound: N-{[5-(2-chlorobenzamido)-2-(dimethylamino)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide

V027-0071 Screening compound: N-{[5-(2-chlorobenzamido)-2-(dimethylamino)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
V027-0071 Screening compound: N-{[5-(2-chlorobenzamido)-2-(dimethylamino)phenyl]methyl}-N-[(3-fluorophenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0071
N-{[5-(2-chlorobenzamido)-2-(dimethylamino)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

V027-0071

Molecular Formula

C28H25ClFN3O3 (C28 H25 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)c(CN(Cc2cc(F)ccc2)C(c2ccco2)=O)cc1NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C28H25ClFN3O3/c1-32(2)25-13-12-22(31-27(34)23-9-3-4-10-24(23)29)16-20(25)18-33(28(35)26-11-6-14-36-26)17-19-7-5-8-21(30)15-19/h3-16H,17-18H2,1-2H3,(H,31,34)

InChI Key

OFCLSJPXDITLNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19801084

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.98

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

5.428

Distribution Coefficient, logD

5.413

Water Solubility, LogSw

-5.73

Polar Surface Area

50.351

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V027-0071 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 V027-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0071?
Check Price and Availability of V027-0071, 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 V027-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0071
  • 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 V027-0071 available by request