V022-8944 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-ethylurea

V022-8944 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-ethylurea
V022-8944 Screening compound: 1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8944
1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-ethylurea

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

V022-8944

Molecular Formula

C20H22ClN3O3 (C20 H22 ClN3 O3)

Compound Name

1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-3-ethylurea

IUPAC name

1-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-3-ethylurea

SMILES

CCNC(Nc(cc1)cc(CN2Cc(cc3)ccc3Cl)c1OC(C)C2=O)=O

InChI

InChI=1S/C20H22ClN3O3/c1-3-22-20(26)23-17-8-9-18-15(10-17)12-24(19(25)13(2)27-18)11-14-4-6-16(21)7-5-14/h4-10,13H,3,11-12H2,1-2H3,(H2,22,23,26)/t13-/m0/s1

InChI Key

IOXPNLXSMXRLAX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19849983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.76

Polar Surface Area

58.103

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V022-8944 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V022-8944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8944?
Check Price and Availability of V022-8944, 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 V022-8944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8944
  • 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 V022-8944 available by request