V003-5603 Screening compound: 3-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-phenylurea

V003-5603 Screening compound: 3-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-phenylurea
V003-5603 Screening compound: 3-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5603
3-(2-ethyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-1-phenylurea

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

V003-5603

Molecular Formula

C26H24F3N3O3 (C26 H24 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(N(Cc1cccc(C(F)(F)F)c1)C1)=O)Oc(cc2)c1cc2NC(Nc1ccccc1)=O

InChI

InChI=1S/C26H24F3N3O3/c1-2-22-24(33)32(15-17-7-6-8-19(13-17)26(27,28)29)16-18-14-21(11-12-23(18)35-22)31-25(34)30-20-9-4-3-5-10-20/h3-14,22H,2,15-16H2,1H3,(H2,30,31,34)/t22-/m0/s1

InChI Key

RHKLWWGVWRFPRR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19849912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.752

Distribution Coefficient, logD

5.752

Water Solubility, LogSw

-5.56

Polar Surface Area

57.078

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

V003-5603 in Drug Discovery

Included in Screening Libraries

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 V003-5603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5603?
Check Price and Availability of V003-5603, 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 V003-5603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5603
  • 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 V003-5603 available by request