V008-4622 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V008-4622 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-8-nitro-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V008-4622 Screening compound: N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-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 V008-4622
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-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

V008-4622

Molecular Formula

C27H27FN4O3 (C27 H27 FN4 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-8-nitro-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

Cc(cc1)ccc1N(CC1)CC(C(C2)C(NCc(cc3)ccc3F)=O)N1c(cc1)c2cc1[N+]([O-])=O

InChI

InChI=1S/C27H27FN4O3/c1-18-2-8-22(9-3-18)30-12-13-31-25-11-10-23(32(34)35)14-20(25)15-24(26(31)17-30)27(33)29-16-19-4-6-21(28)7-5-19/h2-11,14,24,26H,12-13,15-17H2,1H3,(H,29,33)

InChI Key

ACKSVQCCGOGXMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978818

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.41

Polar Surface Area

63.598

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V008-4622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4622?
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What is the minimum amount of V008-4622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4622
  • 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 V008-4622 available by request