2433-0126 Screening compound: 5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

2433-0126 Screening compound: 5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
2433-0126 Screening compound: 5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2433-0126
5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

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

2433-0126

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

IUPAC name

5-acetyl-6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(2-nitrophenyl)-14-dihydropyridine-3-carbonitrile

SMILES

CC(C(C1c(cccc2)c2[N+]([O-])=O)=C(C)NC(SCc2c(C)cccc2)=C1C#N)=O

InChI

InChI=1S/C23H21N3O3S/c1-14-8-4-5-9-17(14)13-30-23-19(12-24)22(21(16(3)27)15(2)25-23)18-10-6-7-11-20(18)26(28)29/h4-11,22,25H,13H2,1-3H3/t22-/m0/s1

InChI Key

UMVFRMBUCKSHJT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02641541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-4.61

Polar Surface Area

73.738

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

2433-0126 in Drug Discovery

Included in Screening Libraries

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 2433-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2433-0126?
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What is the minimum amount of 2433-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2433-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2433-0126
  • 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 2433-0126 available by request