V014-8770 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

V014-8770 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide
V014-8770 Screening compound: N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8770
N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)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

V014-8770

Molecular Formula

C30H34N2O6 (C30 H34 N2 O6)

Compound Name

N-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

IUPAC name

N-{4-[2-(34-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-2-(3-methoxyphenyl)acetamide

SMILES

CCC(C(N(CCc(cc1)cc(OC)c1OC)C1)=O)Oc(cc2)c1cc2NC(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C30H34N2O6/c1-5-25-30(34)32(14-13-20-9-11-27(36-3)28(16-20)37-4)19-22-18-23(10-12-26(22)38-25)31-29(33)17-21-7-6-8-24(15-21)35-2/h6-12,15-16,18,25H,5,13-14,17,19H2,1-4H3,(H,31,33)/t25-/m0/s1

InChI Key

BGCCSSGWKJIPHB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19849076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.39

Polar Surface Area

70.436

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V014-8770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8770?
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What is the minimum amount of V014-8770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8770
  • 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 V014-8770 available by request