V003-3467 Screening compound: 3-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea

V003-3467 Screening compound: 3-{4-[(3,5-difluorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea
V003-3467 Screening compound: 3-{4-[(3,5-difluorophenyl)methyl]-2-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 V003-3467
3-{4-[(3,5-difluorophenyl)methyl]-2-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

V003-3467

Molecular Formula

C27H27F2N3O3 (C27 H27 F2 N3 O3)

Compound Name

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

IUPAC name

3-{4-[(35-difluorophenyl)methyl]-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-1-[4-(propan-2-yl)phenyl]urea

SMILES

CC(C)c(cc1)ccc1NC(Nc(cc1)cc(CN2Cc3cc(F)cc(F)c3)c1OC(C)C2=O)=O

InChI

InChI=1S/C27H27F2N3O3/c1-16(2)19-4-6-23(7-5-19)30-27(34)31-24-8-9-25-20(12-24)15-32(26(33)17(3)35-25)14-18-10-21(28)13-22(29)11-18/h4-13,16-17H,14-15H2,1-3H3,(H2,30,31,34)/t17-/m0/s1

InChI Key

ASRMPEJNCUZHLB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19854649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.284

Distribution Coefficient, logD

6.284

Water Solubility, LogSw

-5.56

Polar Surface Area

56.884

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

V003-3467 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 V003-3467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3467?
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What is the minimum amount of V003-3467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3467
  • 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 V003-3467 available by request