V002-6223 Screening compound: 2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

V002-6223 Screening compound: 2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
V002-6223 Screening compound: 2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6223
2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

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

V002-6223

Molecular Formula

C31H31F3N4O2 (C31 H31 F3 N4 O2)

Compound Name

2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

IUPAC name

2-{cyclopropyl[(4-methylphenyl)carbamoyl]amino}-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

Cc(cc1)ccc1NC(N(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(F)(F)F)cc1)=O)C1CC1)=O

InChI

InChI=1S/C31H31F3N4O2/c1-21-6-12-25(13-7-21)36-30(40)38(26-14-15-26)20-29(39)37(19-22-8-10-24(11-9-22)31(32,33)34)17-16-23-18-35-28-5-3-2-4-27(23)28/h2-13,18,26,35H,14-17,19-20H2,1H3,(H,36,40)

InChI Key

MZYXRZYLNAGNKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.134

Distribution Coefficient, logD

6.134

Water Solubility, LogSw

-5.76

Polar Surface Area

50.107

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

V002-6223 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-6223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6223?
Check Price and Availability of V002-6223, 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 V002-6223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6223
  • 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 V002-6223 available by request