V004-7759 Screening compound: 1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea

V004-7759 Screening compound: 1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea
V004-7759 Screening compound: 1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7759
1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)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

V004-7759

Molecular Formula

C24H28ClN3O3 (C24 H28 ClN3 O3)

Compound Name

1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)urea

IUPAC name

1-(3-chlorophenyl)-3-(4-cyclohexyl-2-ethyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl)urea

SMILES

CCC(C(N(C1)C2CCCCC2)=O)Oc(cc2)c1cc2NC(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C24H28ClN3O3/c1-2-21-23(29)28(20-9-4-3-5-10-20)15-16-13-19(11-12-22(16)31-21)27-24(30)26-18-8-6-7-17(25)14-18/h6-8,11-14,20-21H,2-5,9-10,15H2,1H3,(H2,26,27,30)/t21-/m1/s1

InChI Key

MZOBBBSYBMARLC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19849950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.96

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

6.409

Distribution Coefficient, logD

6.409

Water Solubility, LogSw

-6.16

Polar Surface Area

56.465

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

V004-7759 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 V004-7759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7759?
Check Price and Availability of V004-7759, 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 V004-7759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7759
  • 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 V004-7759 available by request