V014-4766 Screening compound: (2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

V014-4766 Screening compound: (2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide
V014-4766 Screening compound: (2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4766
(2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

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

V014-4766

Molecular Formula

C33H36N4O5 (C33 H36 N4 O5)

Compound Name

(2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-butyl-N-({[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCCCN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1OC)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C33H36N4O5/c1-3-4-20-35(32(38)18-13-25-9-14-28(15-10-25)37(40)41)24-33(39)36(23-26-11-16-29(42-2)17-12-26)21-19-27-22-34-31-8-6-5-7-30(27)31/h5-18,22,34H,3-4,19-21,23-24H2,1-2H3

InChI Key

ZVHWUXLDZIZHCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

5.732

Water Solubility, LogSw

-5.63

Polar Surface Area

82.359

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V014-4766 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V014-4766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4766?
Check Price and Availability of V014-4766, 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 V014-4766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4766
  • 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 V014-4766 available by request