V008-4692 Screening compound: 4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide

V008-4692 Screening compound: 4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide
V008-4692 Screening compound: 4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4692
4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide

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

V008-4692

Molecular Formula

C27H27N3O6 (C27 H27 N3 O6)

Compound Name

4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide

IUPAC name

4-{6-[2-(4-methoxyphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[(pyridin-2-yl)methyl]butanamide

SMILES

COc(cc1)ccc1OCC(c(cc1)cc(N2CCCC(NCc3ncccc3)=O)c1OCC2=O)=O

InChI

InChI=1S/C27H27N3O6/c1-34-21-8-10-22(11-9-21)35-17-24(31)19-7-12-25-23(15-19)30(27(33)18-36-25)14-4-6-26(32)29-16-20-5-2-3-13-28-20/h2-3,5,7-13,15H,4,6,14,16-18H2,1H3,(H,29,32)

InChI Key

SVISRDFBZYJOLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19891216

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-2.19

Polar Surface Area

86.080

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.93

References: we are preparing a list of scientific research reports with V008-4692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4692?
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What is the minimum amount of V008-4692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4692
  • 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 V008-4692 available by request