V004-8040 Screening compound: (2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-2-enamide

V004-8040 Screening compound: (2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-2-enamide
V004-8040 Screening compound: (2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8040
(2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-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

V004-8040

Molecular Formula

C32H40BrN3O2 (C32 H40 BrN3 O2)

Compound Name

(2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)carbamoyl]methyl}-N-pentyl-3-phenylprop-2-enamide

SMILES

CCCCCN(CC(N(CCCC)Cc1cccn1Cc(cc1)ccc1Br)=O)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C32H40BrN3O2/c1-3-5-10-22-36(31(37)20-17-27-12-8-7-9-13-27)26-32(38)35(21-6-4-2)25-30-14-11-23-34(30)24-28-15-18-29(33)19-16-28/h7-9,11-20,23H,3-6,10,21-22,24-26H2,1-2H3

InChI Key

RGTWDCADANQXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19732573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.732

Distribution Coefficient, logD

7.732

Water Solubility, LogSw

-5.78

Polar Surface Area

33.904

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

V004-8040 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-8040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8040?
Check Price and Availability of V004-8040, 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 V004-8040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8040
  • 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 V004-8040 available by request