V005-3843 Screening compound: (E)-N~1~-(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-3-(4-nitrophenyl)-2-propenamide

V005-3843 Screening compound: (E)-N~1~-(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-3-(4-nitrophenyl)-2-propenamide
V005-3843 Screening compound: (E)-N~1~-(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-3-(4-nitrophenyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-3843
(E)-N~1~-(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-3-(4-nitrophenyl)-2-propenamide

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

V005-3843

Molecular Formula

C32H33FN4O4 (C32 H33 FN4 O4)

Compound Name

(E)-N~1~-(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)-N~1~-isobutyl-3-(4-nitrophenyl)-2-propenamide

IUPAC name

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

SMILES

CC(C)CN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1F)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C32H33FN4O4/c1-23(2)20-36(31(38)16-11-24-9-14-28(15-10-24)37(40)41)22-32(39)35(21-25-7-12-27(33)13-8-25)18-17-26-19-34-30-6-4-3-5-29(26)30/h3-16,19,23,34H,17-18,20-22H2,1-2H3

InChI Key

MLUCCGDPYLBRMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.69

Polar Surface Area

74.836

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V005-3843 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 V005-3843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-3843?
Check Price and Availability of V005-3843, 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 V005-3843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-3843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-3843
  • 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 V005-3843 available by request