V003-7272 Screening compound: 3-(4-fluorophenyl)-N-(2-methoxyethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V003-7272 Screening compound: 3-(4-fluorophenyl)-N-(2-methoxyethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V003-7272 Screening compound: 3-(4-fluorophenyl)-N-(2-methoxyethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7272
3-(4-fluorophenyl)-N-(2-methoxyethyl)-8-(trifluoromethyl)-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

V003-7272

Molecular Formula

C23H25F4N3O2 (C23 H25 F4 N3 O2)

Compound Name

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

IUPAC name

3-(4-fluorophenyl)-N-(2-methoxyethyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

COCCNC(C(C1)C(CN(CC2)c(cc3)ccc3F)N2c2c1cc(C(F)(F)F)cc2)=O

InChI

InChI=1S/C23H25F4N3O2/c1-32-11-8-28-22(31)19-13-15-12-16(23(25,26)27)2-7-20(15)30-10-9-29(14-21(19)30)18-5-3-17(24)4-6-18/h2-7,12,19,21H,8-11,13-14H2,1H3,(H,28,31)

InChI Key

TWMZMJURAOSHEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848104

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.06

Polar Surface Area

38.672

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V003-7272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7272?
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What is the minimum amount of V003-7272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7272
  • 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 V003-7272 available by request