V016-8430 Screening compound: 3-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea

V016-8430 Screening compound: 3-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(3-methoxyphenyl)urea
V016-8430 Screening compound: 3-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-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 V016-8430
3-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-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

V016-8430

Molecular Formula

C27H28FN3O4 (C27 H28 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(CCc(cc1)ccc1F)C1)=O)Oc(cc2)c1cc2NC(Nc1cc(OC)ccc1)=O

InChI

InChI=1S/C27H28FN3O4/c1-3-24-26(32)31(14-13-18-7-9-20(28)10-8-18)17-19-15-22(11-12-25(19)35-24)30-27(33)29-21-5-4-6-23(16-21)34-2/h4-12,15-16,24H,3,13-14,17H2,1-2H3,(H2,29,30,33)/t24-/m0/s1

InChI Key

BOVDCAALYYKIMJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19854638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.564

Water Solubility, LogSw

-5.45

Polar Surface Area

64.600

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V016-8430 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V016-8430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8430?
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What is the minimum amount of V016-8430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8430
  • 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 V016-8430 available by request