V003-7213 Screening compound: (2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

V003-7213 Screening compound: (2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide
V003-7213 Screening compound: (2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7213
(2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)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

V003-7213

Molecular Formula

C28H30FN3O6 (C28 H30 FN3 O6)

Compound Name

(2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)-3-(4-nitrophenyl)prop-2-enamide

SMILES

CCOCCCN(CC(N(Cc1ccco1)Cc(cc1)ccc1F)=O)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C28H30FN3O6/c1-2-37-17-4-16-30(27(33)15-10-22-8-13-25(14-9-22)32(35)36)21-28(34)31(20-26-5-3-18-38-26)19-23-6-11-24(29)12-7-23/h3,5-15,18H,2,4,16-17,19-21H2,1H3

InChI Key

PNAAANBICMIMEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19977326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.09

Polar Surface Area

80.692

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V003-7213 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 V003-7213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7213?
Check Price and Availability of V003-7213, 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 V003-7213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7213
  • 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 V003-7213 available by request