V030-9270 Screening compound: 3-methyl-8-nitro-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V030-9270 Screening compound: 3-methyl-8-nitro-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V030-9270 Screening compound: 3-methyl-8-nitro-N-[(pyridin-3-yl)methyl]-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9270
3-methyl-8-nitro-N-[(pyridin-3-yl)methyl]-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

V030-9270

Molecular Formula

C20H23N5O3 (C20 H23 N5 O3)

Compound Name

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

IUPAC name

3-methyl-8-nitro-N-[(pyridin-3-yl)methyl]-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

CN(CC1)CC(C(C2)C(NCc3cnccc3)=O)N1c(cc1)c2cc1[N+]([O-])=O

InChI

InChI=1S/C20H23N5O3/c1-23-7-8-24-18-5-4-16(25(27)28)9-15(18)10-17(19(24)13-23)20(26)22-12-14-3-2-6-21-11-14/h2-6,9,11,17,19H,7-8,10,12-13H2,1H3,(H,22,26)

InChI Key

DUAIGFHZVAEYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847730

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.027

Distribution Coefficient, logD

-0.847

Water Solubility, LogSw

-1.82

Polar Surface Area

73.332

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

V030-9270 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-9270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9270?
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What is the minimum amount of V030-9270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9270
  • 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 V030-9270 available by request