V008-7791 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-7791 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-7791 Screening compound: 3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7791
3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

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

V008-7791

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

IUPAC name

3-(2-cyanophenyl)-N-(cyclopropylmethyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

N#Cc(cccc1)c1N(CC1)CC(C(C2)C(NCC3CC3)=O)N1c(cc1)c2cc1[N+]([O-])=O

InChI

InChI=1S/C24H25N5O3/c25-13-17-3-1-2-4-21(17)27-9-10-28-22-8-7-19(29(31)32)11-18(22)12-20(23(28)15-27)24(30)26-14-16-5-6-16/h1-4,7-8,11,16,20,23H,5-6,9-10,12,14-15H2,(H,26,30)

InChI Key

KXKLZOBDKYDWMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847788

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.333

Water Solubility, LogSw

-3.75

Polar Surface Area

80.877

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V008-7791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7791?
Check Price and Availability of V008-7791, 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 V008-7791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7791
  • 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 V008-7791 available by request