V018-0480 Screening compound: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide

V018-0480 Screening compound: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide
V018-0480 Screening compound: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-0480
N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide

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

V018-0480

Molecular Formula

C22H23FN2O3 (C22 H23 FN2 O3)

Compound Name

N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide

IUPAC name

N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl]-2-(4-fluorophenyl)acetamide

SMILES

CC(C(N(CC1CC1)C1)=O)Oc(cc2)c1cc2NC(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C22H23FN2O3/c1-14-22(27)25(12-16-2-3-16)13-17-11-19(8-9-20(17)28-14)24-21(26)10-15-4-6-18(23)7-5-15/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H,24,26)/t14-/m1/s1

InChI Key

AWCVONNFCDFSCV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19849383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.50

Polar Surface Area

47.982

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

V018-0480 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V018-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-0480?
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What is the minimum amount of V018-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-0480
  • 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 V018-0480 available by request