V031-1061 Screening compound: 2-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

V031-1061 Screening compound: 2-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
V031-1061 Screening compound: 2-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1061
2-[4-(6-chloropyridine-3-carbonyl)-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

V031-1061

Molecular Formula

C25H22ClN5O (C25 H22 ClN5 O)

Compound Name

2-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline

IUPAC name

2-[4-(6-chloropyridine-3-carbonyl)-14-diazepan-1-yl]-3-phenylquinoxaline

SMILES

O=C(c(cc1)cnc1Cl)N(CCC1)CCN1c1nc2ccccc2nc1-c1ccccc1

InChI

InChI=1S/C25H22ClN5O/c26-22-12-11-19(17-27-22)25(32)31-14-6-13-30(15-16-31)24-23(18-7-2-1-3-8-18)28-20-9-4-5-10-21(20)29-24/h1-5,7-12,17H,6,13-16H2

InChI Key

MNTNBSUZVJFKFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980216

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.54

Polar Surface Area

46.847

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V031-1061 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V031-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1061?
Check Price and Availability of V031-1061, 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 V031-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1061
  • 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 V031-1061 available by request