V003-5172 Screening compound: N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide

V003-5172 Screening compound: N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide
V003-5172 Screening compound: N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5172
N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide

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

V003-5172

Molecular Formula

C26H23F3N2O3 (C26 H23 F3 N2 O3)

Compound Name

N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2,6-difluorobenzamide

IUPAC name

N-{2-ethyl-4-[2-(4-fluorophenyl)ethyl]-3-oxo-2345-tetrahydro-14-benzoxazepin-7-yl}-26-difluorobenzamide

SMILES

CCC(C(N(CCc(cc1)ccc1F)C1)=O)Oc(cc2)c1cc2NC(c(c(F)ccc1)c1F)=O

InChI

InChI=1S/C26H23F3N2O3/c1-2-22-26(33)31(13-12-16-6-8-18(27)9-7-16)15-17-14-19(10-11-23(17)34-22)30-25(32)24-20(28)4-3-5-21(24)29/h3-11,14,22H,2,12-13,15H2,1H3,(H,30,32)/t22-/m1/s1

InChI Key

CFJCACXFXDWVCN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD19854360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.18

Polar Surface Area

47.845

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with V003-5172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5172?
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What is the minimum amount of V003-5172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5172
  • 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 V003-5172 available by request