V016-9217 Screening compound: 3-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea

V016-9217 Screening compound: 3-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea
V016-9217 Screening compound: 3-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9217
3-{2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]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

V016-9217

Molecular Formula

C29H33N3O4 (C29 H33 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(Cc(cc1)ccc1OC)C1)=O)Oc(cc2)c1cc2NC(Nc1ccc(C(C)C)cc1)=O

InChI

InChI=1S/C29H33N3O4/c1-5-26-28(33)32(17-20-6-13-25(35-4)14-7-20)18-22-16-24(12-15-27(22)36-26)31-29(34)30-23-10-8-21(9-11-23)19(2)3/h6-16,19,26H,5,17-18H2,1-4H3,(H2,30,31,34)/t26-/m0/s1

InChI Key

HYJACSGXLBYEJV-SANMLTNESA-N

MDL Number (MFCD)

MFCD19849974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

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

6.508

Distribution Coefficient, logD

6.508

Water Solubility, LogSw

-5.68

Polar Surface Area

64.622

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

V016-9217 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 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 V016-9217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9217?
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What is the minimum amount of V016-9217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9217
  • 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 V016-9217 available by request