V012-8422 Screening compound: 2-{6-[2-(3-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-[2-(PIPERIDIN-1-YL)ETHYL]PROPANAMIDE

V012-8422 Screening compound: 2-{6-[2-(3-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-[2-(PIPERIDIN-1-YL)ETHYL]PROPANAMIDE
V012-8422 Screening compound: 2-{6-[2-(3-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-[2-(PIPERIDIN-1-YL)ETHYL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8422
2-{6-[2-(3-ETHYLPHENOXY)ACETYL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL}-N-[2-(PIPERIDIN-1-YL)ETHYL]PROPANAMIDE

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

V012-8422

Molecular Formula

C28H35N3O5 (C28 H35 N3 O5)

Compound Name

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

IUPAC name

2-{6-[2-(3-ethylphenoxy)acetyl]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl}-N-[2-(piperidin-1-yl)ethyl]propanamide

SMILES

CCc1cccc(OCC(c(cc2)cc(N3C(C)C(NCCN4CCCCC4)=O)c2OCC3=O)=O)c1

InChI

InChI=1S/C28H35N3O5/c1-3-21-8-7-9-23(16-21)35-18-25(32)22-10-11-26-24(17-22)31(27(33)19-36-26)20(2)28(34)29-12-15-30-13-5-4-6-14-30/h7-11,16-17,20H,3-6,12-15,18-19H2,1-2H3,(H,29,34)/t20-/m0/s1

InChI Key

SJQLOILVYNJUET-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19890499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

1.370

Water Solubility, LogSw

-3.32

Polar Surface Area

72.393

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with V012-8422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8422?
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What is the minimum amount of V012-8422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8422
  • 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 V012-8422 available by request