V023-6854 Screening compound: ethyl 1-(2-{6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-4-carboxylate

V023-6854 Screening compound: ethyl 1-(2-{6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-4-carboxylate
V023-6854 Screening compound: ethyl 1-(2-{6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-6854
ethyl 1-(2-{6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-4-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

V023-6854

Molecular Formula

C27H29ClN2O7 (C27 H29 ClN2 O7)

Compound Name

ethyl 1-(2-{6-[2-(2-chloro-5-methylphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}acetyl)piperidine-4-carboxylate

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(CN1c(cc(cc2)C(COc(cc(C)cc3)c3Cl)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C27H29ClN2O7/c1-3-35-27(34)18-8-10-29(11-9-18)25(32)14-30-21-13-19(5-7-23(21)37-16-26(30)33)22(31)15-36-24-12-17(2)4-6-20(24)28/h4-7,12-13,18H,3,8-11,14-16H2,1-2H3

InChI Key

KFPUHKYDBWKYFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19979349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.199

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.39

Polar Surface Area

81.776

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V023-6854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-6854?
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What is the minimum amount of V023-6854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-6854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-6854
  • 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 V023-6854 available by request