V003-0452 Screening compound: 2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline

V003-0452 Screening compound: 2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline
V003-0452 Screening compound: 2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0452
2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-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

V003-0452

Molecular Formula

C32H32N6O (C32 H32 N6 O)

Compound Name

2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline

IUPAC name

2-phenyl-3-[4-(1-phenyl-5-propyl-1H-pyrazole-4-carbonyl)-14-diazepan-1-yl]quinoxaline

SMILES

CCCc(n(-c1ccccc1)nc1)c1C(N(CCC1)CCN1c1nc2ccccc2nc1-c1ccccc1)=O

InChI

InChI=1S/C32H32N6O/c1-2-12-29-26(23-33-38(29)25-15-7-4-8-16-25)32(39)37-20-11-19-36(21-22-37)31-30(24-13-5-3-6-14-24)34-27-17-9-10-18-28(27)35-31/h3-10,13-18,23H,2,11-12,19-22H2,1H3

InChI Key

MQEDJCSHCXAWST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955872

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.348

Distribution Coefficient, logD

6.348

Water Solubility, LogSw

-5.48

Polar Surface Area

51.418

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V003-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0452?
Check Price and Availability of V003-0452, 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 V003-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0452
  • 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 V003-0452 available by request