8010-4389 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate

8010-4389 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
8010-4389 Screening compound: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4389
tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-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

8010-4389

Molecular Formula

C27H28ClN3O3S (C27 H28 ClN3 O3 S)

Compound Name

tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate

IUPAC name

tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-14-dihydropyridine-3-carboxylate

SMILES

CC(C)(C)OC(C(C1c(cc2)ccc2Cl)=C(C)NC(SCC(Nc2c(C)cccc2)=O)=C1C#N)=O

InChI

InChI=1S/C27H28ClN3O3S/c1-16-8-6-7-9-21(16)31-22(32)15-35-25-20(14-29)24(18-10-12-19(28)13-11-18)23(17(2)30-25)26(33)34-27(3,4)5/h6-13,24,30H,15H2,1-5H3,(H,31,32)/t24-/m1/s1

InChI Key

PXQDZTSZSZXNAU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD02110364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-6.34

Polar Surface Area

69.145

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

8010-4389 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-4389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4389?
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What is the minimum amount of 8010-4389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4389
  • 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 8010-4389 available by request