V022-4352 Screening compound: 6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

V022-4352 Screening compound: 6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
V022-4352 Screening compound: 6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4352
6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

V022-4352

Molecular Formula

C28H28ClN3O6 (C28 H28 ClN3 O6)

Compound Name

6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[2-(2-chlorophenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCN(CC1)CCN1C(c1ccc(CN2c(cc(cc3)C(COc(cccc4)c4Cl)=O)c3OCC2=O)o1)=O

InChI

InChI=1S/C28H28ClN3O6/c1-2-30-11-13-31(14-12-30)28(35)26-10-8-20(38-26)16-32-22-15-19(7-9-25(22)37-18-27(32)34)23(33)17-36-24-6-4-3-5-21(24)29/h3-10,15H,2,11-14,16-18H2,1H3

InChI Key

DNBDWFHDZGZELI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890125

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.42

Polar Surface Area

72.656

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V022-4352 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V022-4352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4352?
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What is the minimum amount of V022-4352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4352
  • 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 V022-4352 available by request