6940-0125 Screening compound: N-cyclohexyl-N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

6940-0125 Screening compound: N-cyclohexyl-N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
6940-0125 Screening compound: N-cyclohexyl-N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6940-0125
N-cyclohexyl-N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

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

6940-0125

Molecular Formula

C22H28N4S (C22 H28 N4 S)

Compound Name

N-cyclohexyl-N-(5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

IUPAC name

N-cyclohexyl-8-(propan-2-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC(C)c1c(CCCC2)c2c(c2ncnc(NC3CCCCC3)c2s2)c2n1

InChI

InChI=1S/C22H28N4S/c1-13(2)18-16-11-7-6-10-15(16)17-19-20(27-22(17)26-18)21(24-12-23-19)25-14-8-4-3-5-9-14/h12-14H,3-11H2,1-2H3,(H,23,24,25)

InChI Key

BBQCOUJLHSACFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.968

Distribution Coefficient, logD

6.967

Water Solubility, LogSw

-6.01

Polar Surface Area

41.545

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

6940-0125 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6940-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0125?
Check Price and Availability of 6940-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6940-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0125
  • 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 6940-0125 available by request