V003-7217 Screening compound: 2-methoxy-N~1~-{2-methyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

V003-7217 Screening compound: 2-methoxy-N~1~-{2-methyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide
V003-7217 Screening compound: 2-methoxy-N~1~-{2-methyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7217
2-methoxy-N~1~-{2-methyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

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

V003-7217

Molecular Formula

C26H23F3N2O4 (C26 H23 F3 N2 O4)

Compound Name

2-methoxy-N~1~-{2-methyl-3-oxo-4-[3-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzamide

IUPAC name

2-methoxy-N-(2-methyl-3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-14-benzoxazepin-7-yl)benzamide

SMILES

CC(C(N(Cc1cccc(C(F)(F)F)c1)C1)=O)Oc(cc2)c1cc2NC(c(cccc1)c1OC)=O

InChI

InChI=1S/C26H23F3N2O4/c1-16-25(33)31(14-17-6-5-7-19(12-17)26(27,28)29)15-18-13-20(10-11-22(18)35-16)30-24(32)21-8-3-4-9-23(21)34-2/h3-13,16H,14-15H2,1-2H3,(H,30,32)/t16-/m0/s1

InChI Key

UTJDJGPZLJBKEJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19849033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.49

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with V003-7217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7217?
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What is the minimum amount of V003-7217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7217
  • 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 V003-7217 available by request