V002-6325 Screening compound: 2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline

V002-6325 Screening compound: 2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline
V002-6325 Screening compound: 2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6325
2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline

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

V002-6325

Molecular Formula

C27H23F3N4O (C27 H23 F3 N4 O)

Compound Name

2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline

IUPAC name

2-phenyl-3-{4-[2-(trifluoromethyl)benzoyl]-14-diazepan-1-yl}quinoxaline

SMILES

O=C(c1c(C(F)(F)F)cccc1)N(CCC1)CCN1c1nc2ccccc2nc1-c1ccccc1

InChI

InChI=1S/C27H23F3N4O/c28-27(29,30)21-12-5-4-11-20(21)26(35)34-16-8-15-33(17-18-34)25-24(19-9-2-1-3-10-19)31-22-13-6-7-14-23(22)32-25/h1-7,9-14H,8,15-18H2

InChI Key

XGDNZIUOLUKCSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955751

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.452

Distribution Coefficient, logD

5.451

Water Solubility, LogSw

-5.76

Polar Surface Area

37.843

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V002-6325 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V002-6325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6325?
Check Price and Availability of V002-6325, 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 V002-6325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6325
  • 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 V002-6325 available by request