V004-9145 Screening compound: 2-[2,2-diphenyl-N-(propan-2-yl)acetamido]-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

V004-9145 Screening compound: 2-[2,2-diphenyl-N-(propan-2-yl)acetamido]-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
V004-9145 Screening compound: 2-[2,2-diphenyl-N-(propan-2-yl)acetamido]-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9145
2-[2,2-diphenyl-N-(propan-2-yl)acetamido]-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

V004-9145

Molecular Formula

C37H36F3N3O2 (C37 H36 F3 N3 O2)

Compound Name

2-[2,2-diphenyl-N-(propan-2-yl)acetamido]-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

IUPAC name

2-[22-diphenyl-N-(propan-2-yl)acetamido]-N-[2-(1H-indol-3-yl)ethyl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

CC(C)N(CC(N(CCc1c[nH]c2c1cccc2)Cc1ccc(C(F)(F)F)cc1)=O)C(C(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C37H36F3N3O2/c1-26(2)43(36(45)35(28-11-5-3-6-12-28)29-13-7-4-8-14-29)25-34(44)42(24-27-17-19-31(20-18-27)37(38,39)40)22-21-30-23-41-33-16-10-9-15-32(30)33/h3-20,23,26,35,41H,21-22,24-25H2,1-2H3

InChI Key

AIWONCAKQFXWHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.288

Distribution Coefficient, logD

7.288

Water Solubility, LogSw

-6.03

Polar Surface Area

41.454

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.30

V004-9145 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 V004-9145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9145?
Check Price and Availability of V004-9145, 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 V004-9145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9145
  • 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 V004-9145 available by request