V018-5738 Screening compound: 4-[4-(morpholin-4-yl)-4-oxobutyl]-6-[2-(2,4,6-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

V018-5738 Screening compound: 4-[4-(morpholin-4-yl)-4-oxobutyl]-6-[2-(2,4,6-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
V018-5738 Screening compound: 4-[4-(morpholin-4-yl)-4-oxobutyl]-6-[2-(2,4,6-trimethylphenoxy)acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5738
4-[4-(morpholin-4-yl)-4-oxobutyl]-6-[2-(2,4,6-trimethylphenoxy)acetyl]-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

V018-5738

Molecular Formula

C27H32N2O6 (C27 H32 N2 O6)

Compound Name

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

IUPAC name

4-[4-(morpholin-4-yl)-4-oxobutyl]-6-[2-(246-trimethylphenoxy)acetyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc1C)cc(C)c1OCC(c(cc1)cc(N2CCCC(N3CCOCC3)=O)c1OCC2=O)=O

InChI

InChI=1S/C27H32N2O6/c1-18-13-19(2)27(20(3)14-18)35-16-23(30)21-6-7-24-22(15-21)29(26(32)17-34-24)8-4-5-25(31)28-9-11-33-12-10-28/h6-7,13-15H,4-5,8-12,16-17H2,1-3H3

InChI Key

WYTSPKZDIHTXSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

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

2.776

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.05

Polar Surface Area

68.995

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V018-5738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5738?
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What is the minimum amount of V018-5738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5738
  • 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 V018-5738 available by request