V002-0775 Screening compound: 2-chloro-N~1~-(2-furylmethyl)-N~1~-{[5-(2-methoxyphenyl)-3-isoxazolyl]methyl}acetamide

V002-0775 Screening compound: 2-chloro-N~1~-(2-furylmethyl)-N~1~-{[5-(2-methoxyphenyl)-3-isoxazolyl]methyl}acetamide
V002-0775 Screening compound: 2-chloro-N~1~-(2-furylmethyl)-N~1~-{[5-(2-methoxyphenyl)-3-isoxazolyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0775
2-chloro-N~1~-(2-furylmethyl)-N~1~-{[5-(2-methoxyphenyl)-3-isoxazolyl]methyl}acetamide

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

V002-0775

Molecular Formula

C18H17ClN2O4 (C18 H17 ClN2 O4)

Compound Name

2-chloro-N~1~-(2-furylmethyl)-N~1~-{[5-(2-methoxyphenyl)-3-isoxazolyl]methyl}acetamide

IUPAC name

2-chloro-N-[(furan-2-yl)methyl]-N-{[5-(2-methoxyphenyl)-12-oxazol-3-yl]methyl}acetamide

SMILES

COc(cccc1)c1-c1cc(CN(Cc2ccco2)C(CCl)=O)no1

InChI

InChI=1S/C18H17ClN2O4/c1-23-16-7-3-2-6-15(16)17-9-13(20-25-17)11-21(18(22)10-19)12-14-5-4-8-24-14/h2-9H,10-12H2,1H3

InChI Key

XJKKBAOMQXVASP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.29

Polar Surface Area

53.332

Acid Dissociation Constant (pKa)

20.80

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V002-0775 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 V002-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0775?
Check Price and Availability of V002-0775, 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 V002-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0775
  • 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 V002-0775 available by request