8010-9994 Screening compound: 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-N~3~-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

8010-9994 Screening compound: 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-N~3~-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide
8010-9994 Screening compound: 6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-N~3~-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9994
6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-N~3~-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

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

8010-9994

Molecular Formula

C29H26N4O3S (C29 H26 N4 O3 S)

Compound Name

6-[(2-anilino-2-oxoethyl)sulfanyl]-5-cyano-N~3~-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydro-3-pyridinecarboxamide

IUPAC name

5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-6-{[(phenylcarbamoyl)methyl]sulfanyl}-14-dihydropyridine-3-carboxamide

SMILES

CC(NC(SCC(Nc1ccccc1)=O)=C(C1c2ccccc2)C#N)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C29H26N4O3S/c1-19-26(28(35)33-23-15-9-10-16-24(23)36-2)27(20-11-5-3-6-12-20)22(17-30)29(31-19)37-18-25(34)32-21-13-7-4-8-14-21/h3-16,27,31H,18H2,1-2H3,(H,32,34)(H,33,35)/t27-/m0/s1

InChI Key

JQJVFLKJFAUYJI-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02232514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.48

Polar Surface Area

80.004

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.79

8010-9994 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 8010-9994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9994?
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What is the minimum amount of 8010-9994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9994
  • 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 8010-9994 available by request