V031-1204 Screening compound: N-[(3-fluorophenyl)methyl]-8-nitro-1H,2H,4H,4aH,5H,6H-[1,4]oxazino[4,3-a]quinoline-5-carboxamide

V031-1204 Screening compound: N-[(3-fluorophenyl)methyl]-8-nitro-1H,2H,4H,4aH,5H,6H-[1,4]oxazino[4,3-a]quinoline-5-carboxamide
V031-1204 Screening compound: N-[(3-fluorophenyl)methyl]-8-nitro-1H,2H,4H,4aH,5H,6H-[1,4]oxazino[4,3-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1204
N-[(3-fluorophenyl)methyl]-8-nitro-1H,2H,4H,4aH,5H,6H-[1,4]oxazino[4,3-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

V031-1204

Molecular Formula

C20H20FN3O4 (C20 H20 FN3 O4)

Compound Name

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

IUPAC name

N-[(3-fluorophenyl)methyl]-8-nitro-1H2H4H4aH5H6H-[14]oxazino[43-a]quinoline-5-carboxamide

SMILES

[O-][N+](c(cc1)cc(C2)c1N(CCOC1)C1C2C(NCc1cccc(F)c1)=O)=O

InChI

InChI=1S/C20H20FN3O4/c21-15-3-1-2-13(8-15)11-22-20(25)17-10-14-9-16(24(26)27)4-5-18(14)23-6-7-28-12-19(17)23/h1-5,8-9,17,19H,6-7,10-12H2,(H,22,25)

InChI Key

HCMKISVMOFNLDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19847930

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-2.85

Polar Surface Area

68.811

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

V031-1204 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1204?
Check Price and Availability of V031-1204, 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 V031-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1204
  • 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 V031-1204 available by request