K696-0090 Screening compound: N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]amine

K696-0090 Screening compound: N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]amine
K696-0090 Screening compound: N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0090
N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-[3-(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

K696-0090

Molecular Formula

C18H16F3N3S (C18 H16 F3 N3 S)

Compound Name

N-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]amine

IUPAC name

5-methyl-N-[3-(trifluoromethyl)phenyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-amine

SMILES

Cc1nc(Nc2cc(C(F)(F)F)ccc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C18H16F3N3S/c1-10-22-16(24-12-6-4-5-11(9-12)18(19,20)21)15-13-7-2-3-8-14(13)25-17(15)23-10/h4-6,9H,2-3,7-8H2,1H3,(H,22,23,24)

InChI Key

GNAQKYXYPGKGSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.41

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

5.992

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-6.06

Polar Surface Area

29.000

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

K696-0090 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K696-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0090?
Check Price and Availability of K696-0090, 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 K696-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0090
  • 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 K696-0090 available by request