V013-9718 Screening compound: 2-{6-[2-(2-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-(3-METHYLBUTYL)ACETAMIDE

V013-9718 Screening compound: 2-{6-[2-(2-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-(3-METHYLBUTYL)ACETAMIDE
V013-9718 Screening compound: 2-{6-[2-(2-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-(3-METHYLBUTYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9718
2-{6-[2-(2-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-(3-METHYLBUTYL)ACETAMIDE

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

V013-9718

Molecular Formula

C25H30N2O5 (C25 H30 N2 O5)

Compound Name

2-{6-[2-(2-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-(3-METHYLBUTYL)ACETAMIDE

IUPAC name

2-{6-[2-(2-ethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-(3-methylbutyl)acetamide

SMILES

CCc(cccc1)c1OCC(c(cc1)cc(N2CC(NCCC(C)C)=O)c1OCC2=O)=O

InChI

InChI=1S/C25H30N2O5/c1-4-18-7-5-6-8-22(18)31-15-21(28)19-9-10-23-20(13-19)27(25(30)16-32-23)14-24(29)26-12-11-17(2)3/h5-10,13,17H,4,11-12,14-16H2,1-3H3,(H,26,29)

InChI Key

UARGUKCYJGCRCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19890976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-3.92

Polar Surface Area

69.214

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V013-9718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9718?
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What is the minimum amount of V013-9718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9718
  • 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 V013-9718 available by request