V005-2705 Screening compound: ethyl 4-({[cyclopropyl(2-{[2-(1H-indol-3-yl)ethyl][4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)amino]carbonyl}amino)benzoate

V005-2705 Screening compound: ethyl 4-({[cyclopropyl(2-{[2-(1H-indol-3-yl)ethyl][4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)amino]carbonyl}amino)benzoate
V005-2705 Screening compound: ethyl 4-({[cyclopropyl(2-{[2-(1H-indol-3-yl)ethyl][4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)amino]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2705
ethyl 4-({[cyclopropyl(2-{[2-(1H-indol-3-yl)ethyl][4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)amino]carbonyl}amino)benzoate

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

V005-2705

Molecular Formula

C33H33F3N4O4 (C33 H33 F3 N4 O4)

Compound Name

ethyl 4-({[cyclopropyl(2-{[2-(1H-indol-3-yl)ethyl][4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)amino]carbonyl}amino)benzoate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C33H33F3N4O4/c1-2-44-31(42)23-9-13-26(14-10-23)38-32(43)40(27-15-16-27)21-30(41)39(20-22-7-11-25(12-8-22)33(34,35)36)18-17-24-19-37-29-6-4-3-5-28(24)29/h3-14,19,27,37H,2,15-18,20-21H2,1H3,(H,38,43)

InChI Key

CONHFHUMKMOFLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19740004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.312

Distribution Coefficient, logD

6.312

Water Solubility, LogSw

-5.85

Polar Surface Area

70.861

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V005-2705 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 V005-2705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2705?
Check Price and Availability of V005-2705, 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 V005-2705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2705
  • 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 V005-2705 available by request