V003-7527 Screening compound: 3-(3-chlorophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide

V003-7527 Screening compound: 3-(3-chlorophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H,2H,3H,4H,4aH,5H,6H-pyrazino[1,2-a]quinoline-5-carboxamide
V003-7527 Screening compound: 3-(3-chlorophenyl)-N-(cyclopropylmethyl)-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 V003-7527
3-(3-chlorophenyl)-N-(cyclopropylmethyl)-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

V003-7527

Molecular Formula

C24H25ClF3N3O (C24 H25 ClF3 N3 O)

Compound Name

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

IUPAC name

3-(3-chlorophenyl)-N-(cyclopropylmethyl)-8-(trifluoromethyl)-1H2H3H4H4aH5H6H-pyrazino[12-a]quinoline-5-carboxamide

SMILES

O=C(C(C1)C(CN(CC2)c3cccc(Cl)c3)N2c2c1cc(C(F)(F)F)cc2)NCC1CC1

InChI

InChI=1S/C24H25ClF3N3O/c25-18-2-1-3-19(12-18)30-8-9-31-21-7-6-17(24(26,27)28)10-16(21)11-20(22(31)14-30)23(32)29-13-15-4-5-15/h1-3,6-7,10,12,15,20,22H,4-5,8-9,11,13-14H2,(H,29,32)

InChI Key

AMDZCCMVAILMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19848102

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.93

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.407

Distribution Coefficient, logD

5.407

Water Solubility, LogSw

-6.04

Polar Surface Area

30.740

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

References: we are preparing a list of scientific research reports with V003-7527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7527?
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What is the minimum amount of V003-7527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7527
  • 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 V003-7527 available by request