V022-4320 Screening compound: ethyl 1-[5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carbonyl]piperidine-3-carboxylate

V022-4320 Screening compound: ethyl 1-[5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carbonyl]piperidine-3-carboxylate
V022-4320 Screening compound: ethyl 1-[5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4320
ethyl 1-[5-({6-[2-(4-chlorophenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}methyl)furan-2-carbonyl]piperidine-3-carboxylate

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

V022-4320

Molecular Formula

C30H29ClN2O8 (C30 H29 ClN2 O8)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1C(c1ccc(CN2c(cc(cc3)C(COc(cc4)ccc4Cl)=O)c3OCC2=O)o1)=O)=O

InChI

InChI=1S/C30H29ClN2O8/c1-2-38-30(37)20-4-3-13-32(15-20)29(36)27-12-10-23(41-27)16-33-24-14-19(5-11-26(24)40-18-28(33)35)25(34)17-39-22-8-6-21(31)7-9-22/h5-12,14,20H,2-4,13,15-18H2,1H3/t20-/m0/s1

InChI Key

INTFYPSCUGCLOY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19890149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.02

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.60

Polar Surface Area

89.720

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V022-4320 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-4320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4320?
Check Price and Availability of V022-4320, 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 V022-4320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4320
  • 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 V022-4320 available by request