V003-3079 Screening compound: N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-(3-methoxyphenyl)urea

V003-3079 Screening compound: N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-(3-methoxyphenyl)urea
V003-3079 Screening compound: N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-(3-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3079
N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-(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

V003-3079

Molecular Formula

C28H31N3O4 (C28 H31 N3 O4)

Compound Name

N-[2-ethyl-3-oxo-4-(1-phenylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N'-(3-methoxyphenyl)urea

IUPAC name

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

SMILES

CCC(c1ccccc1)N(Cc(cc(cc1)NC(Nc2cc(OC)ccc2)=O)c1OC1CC)C1=O

InChI

InChI=1S/C28H31N3O4/c1-4-24(19-10-7-6-8-11-19)31-18-20-16-22(14-15-26(20)35-25(5-2)27(31)32)30-28(33)29-21-12-9-13-23(17-21)34-3/h6-17,24-25H,4-5,18H2,1-3H3,(H2,29,30,33)

InChI Key

PCZNPEQYHPBAAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.57

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

6.419

Distribution Coefficient, logD

6.419

Water Solubility, LogSw

-5.72

Polar Surface Area

63.713

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

V003-3079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V003-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3079?
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What is the minimum amount of V003-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3079
  • 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 V003-3079 available by request