V004-0695 Screening compound: 2-chloro-N~1~-(3-ethoxypropyl)-N~1~-{2-[(4-fluorobenzyl)(2-furylmethyl)amino]-2-oxoethyl}propanamide

V004-0695 Screening compound: 2-chloro-N~1~-(3-ethoxypropyl)-N~1~-{2-[(4-fluorobenzyl)(2-furylmethyl)amino]-2-oxoethyl}propanamide
V004-0695 Screening compound: 2-chloro-N~1~-(3-ethoxypropyl)-N~1~-{2-[(4-fluorobenzyl)(2-furylmethyl)amino]-2-oxoethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0695
2-chloro-N~1~-(3-ethoxypropyl)-N~1~-{2-[(4-fluorobenzyl)(2-furylmethyl)amino]-2-oxoethyl}propanamide

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

V004-0695

Molecular Formula

C22H28ClFN2O4 (C22 H28 ClFN2 O4)

Compound Name

2-chloro-N~1~-(3-ethoxypropyl)-N~1~-{2-[(4-fluorobenzyl)(2-furylmethyl)amino]-2-oxoethyl}propanamide

IUPAC name

2-chloro-N-(3-ethoxypropyl)-N-({[(4-fluorophenyl)methyl][(furan-2-yl)methyl]carbamoyl}methyl)propanamide

SMILES

CCOCCCN(CC(N(Cc1ccco1)Cc(cc1)ccc1F)=O)C(C(C)Cl)=O

InChI

InChI=1S/C22H28ClFN2O4/c1-3-29-12-5-11-25(22(28)17(2)23)16-21(27)26(15-20-6-4-13-30-20)14-18-7-9-19(24)10-8-18/h4,6-10,13,17H,3,5,11-12,14-16H2,1-2H3/t17-/m0/s1

InChI Key

XDCDCSLDUODGOG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19740270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.064

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-2.96

Polar Surface Area

48.109

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

V004-0695 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V004-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0695?
Check Price and Availability of V004-0695, 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 V004-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0695
  • 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 V004-0695 available by request