8010-4084 Screening compound: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile

8010-4084 Screening compound: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile
8010-4084 Screening compound: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4084
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-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

8010-4084

Molecular Formula

C18H14F6N4S (C18 H14 F6 N4 S)

Compound Name

2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4,4-bis(trifluoromethyl)-1,4-dihydropyridine-3-carbonitrile

IUPAC name

2-amino-1-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-6-methyl-44-bis(trifluoromethyl)-14-dihydropyridine-3-carbonitrile

SMILES

CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c(sc1c2CCCC1)c2C#N

InChI

InChI=1S/C18H14F6N4S/c1-9-6-16(17(19,20)21,18(22,23)24)12(8-26)14(27)28(9)15-11(7-25)10-4-2-3-5-13(10)29-15/h6H,2-5,27H2,1H3

InChI Key

HTIYVXLKEDFKGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.62

Polar Surface Area

56.930

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

8010-4084 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-4084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4084?
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What is the minimum amount of 8010-4084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4084
  • 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 8010-4084 available by request