V008-4022 Screening compound: methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

V008-4022 Screening compound: methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
V008-4022 Screening compound: methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4022
methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

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

V008-4022

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-(2-chlorophenyl)-2-methyl-1-[(3-nitrophenyl)methyl]-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(N(Cc1cc([N+]([O-])=O)ccc1)C(CC1c(cccc2)c2Cl)=O)=C1C(OC)=O

InChI

InChI=1S/C21H19ClN2O5/c1-13-20(21(26)29-2)17(16-8-3-4-9-18(16)22)11-19(25)23(13)12-14-6-5-7-15(10-14)24(27)28/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1

InChI Key

YTQRPPMSMDQVHN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19907079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.017

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.34

Polar Surface Area

70.404

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V008-4022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4022?
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What is the minimum amount of V008-4022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4022
  • 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 V008-4022 available by request