V027-6131 Screening compound: N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-2-carboxamide

V027-6131 Screening compound: N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-2-carboxamide
V027-6131 Screening compound: N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6131
N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-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

V027-6131

Molecular Formula

C24H18F3N3O2 (C24 H18 F3 N3 O2)

Compound Name

N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-2-carboxamide

IUPAC name

N-benzyl-5-[4-(trifluoromethyl)benzamido]-1H-indole-2-carboxamide

SMILES

O=C(c1cc(cc(cc2)NC(c3ccc(C(F)(F)F)cc3)=O)c2[nH]1)NCc1ccccc1

InChI

InChI=1S/C24H18F3N3O2/c25-24(26,27)18-8-6-16(7-9-18)22(31)29-19-10-11-20-17(12-19)13-21(30-20)23(32)28-14-15-4-2-1-3-5-15/h1-13,30H,14H2,(H,28,32)(H,29,31)

InChI Key

MJVBWCLXKZCTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779920

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-5.71

Polar Surface Area

57.092

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

V027-6131 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V027-6131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6131?
Check Price and Availability of V027-6131, 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 V027-6131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6131
  • 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 V027-6131 available by request