V014-8791 Screening compound: 3-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea

V014-8791 Screening compound: 3-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea
V014-8791 Screening compound: 3-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8791
3-{4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea

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

V014-8791

Molecular Formula

C28H31N3O6 (C28 H31 N3 O6)

Compound Name

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

IUPAC name

3-{4-[2-(34-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea

SMILES

CC(C(N(CCc(cc1)cc(OC)c1OC)C1)=O)Oc(cc2)c1cc2NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C28H31N3O6/c1-18-27(32)31(13-12-19-8-10-25(35-3)26(14-19)36-4)17-20-15-22(9-11-24(20)37-18)30-28(33)29-21-6-5-7-23(16-21)34-2/h5-11,14-16,18H,12-13,17H2,1-4H3,(H2,29,30,33)/t18-/m0/s1

InChI Key

FQFSZCMNWJSLIL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19849919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.31

Polar Surface Area

79.667

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V014-8791 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V014-8791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8791?
Check Price and Availability of V014-8791, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V014-8791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8791
  • 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 V014-8791 available by request