K696-0277 Screening compound: N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]amine

K696-0277 Screening compound: N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]amine
K696-0277 Screening compound: N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0277
N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]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

K696-0277

Molecular Formula

C17H14F3N3S (C17 H14 F3 N3 S)

Compound Name

N-(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]amine

IUPAC name

10-methyl-N-[4-(trifluoromethyl)phenyl]-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)911-tetraen-12-amine

SMILES

Cc1nc(Nc2ccc(C(F)(F)F)cc2)c(c(CCC2)c2s2)c2n1

InChI

InChI=1S/C17H14F3N3S/c1-9-21-15(14-12-3-2-4-13(12)24-16(14)22-9)23-11-7-5-10(6-8-11)17(18,19)20/h5-8H,2-4H2,1H3,(H,21,22,23)

InChI Key

DXNXGWHAYXWYGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093614

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

349.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.392

Water Solubility, LogSw

-5.57

Polar Surface Area

29.366

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

K696-0277 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K696-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0277?
Check Price and Availability of K696-0277, 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 K696-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0277
  • 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 K696-0277 available by request