V022-4331 Screening compound: 5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide

V022-4331 Screening compound: 5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
V022-4331 Screening compound: 5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4331
5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide

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

V022-4331

Molecular Formula

C28H30ClN3O6 (C28 H30 ClN3 O6)

Compound Name

5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide

IUPAC name

5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}methyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide

SMILES

CCN(CC)CCNC(c1ccc(CN2c(cc(cc3)C(COc(cc4)ccc4Cl)=O)c3OCC2=O)o1)=O

InChI

InChI=1S/C28H30ClN3O6/c1-3-31(4-2)14-13-30-28(35)26-12-10-22(38-26)16-32-23-15-19(5-11-25(23)37-18-27(32)34)24(33)17-36-21-8-6-20(29)7-9-21/h5-12,15H,3-4,13-14,16-18H2,1-2H3,(H,30,35)

InChI Key

DSJVCOHCQNNWNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890140

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

540.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-4.37

Polar Surface Area

80.322

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V022-4331 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-4331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4331?
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What is the minimum amount of V022-4331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4331
  • 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 V022-4331 available by request