V018-5761 Screening compound: 6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

V018-5761 Screening compound: 6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
V018-5761 Screening compound: 6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5761
6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-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

V018-5761

Molecular Formula

C25H27ClN2O6 (C25 H27 ClN2 O6)

Compound Name

6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[2-(2-chloro-5-methylphenoxy)acetyl]-4-[4-(morpholin-4-yl)-4-oxobutyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc1)cc(OCC(c(cc2)cc(N3CCCC(N4CCOCC4)=O)c2OCC3=O)=O)c1Cl

InChI

InChI=1S/C25H27ClN2O6/c1-17-4-6-19(26)23(13-17)33-15-21(29)18-5-7-22-20(14-18)28(25(31)16-34-22)8-2-3-24(30)27-9-11-32-12-10-27/h4-7,13-14H,2-3,8-12,15-16H2,1H3

InChI Key

TYHFZVZQDRXERU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-3.14

Polar Surface Area

68.909

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V018-5761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5761?
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What is the minimum amount of V018-5761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5761
  • 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 V018-5761 available by request