V010-9947 Screening compound: 2-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

V010-9947 Screening compound: 2-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
V010-9947 Screening compound: 2-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9947
2-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

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

V010-9947

Molecular Formula

C26H22ClFN4O (C26 H22 ClFN4 O)

Compound Name

2-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

IUPAC name

2-[4-(3-chloro-4-fluorobenzoyl)-14-diazepan-1-yl]-3-phenylquinoxaline

SMILES

O=C(c(cc1)cc(Cl)c1F)N(CCC1)CCN1c1nc2ccccc2nc1-c1ccccc1

InChI

InChI=1S/C26H22ClFN4O/c27-20-17-19(11-12-21(20)28)26(33)32-14-6-13-31(15-16-32)25-24(18-7-2-1-3-8-18)29-22-9-4-5-10-23(22)30-25/h1-5,7-12,17H,6,13-16H2

InChI Key

KEQXBDUPZQJQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955825

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.94

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

19.20

References: we are preparing a list of scientific research reports with V010-9947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9947?
Check Price and Availability of V010-9947, 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 V010-9947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9947
  • 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 V010-9947 available by request