K696-0147 Screening compound: 2-methyl-4-(4-phenylpiperazino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

K696-0147 Screening compound: 2-methyl-4-(4-phenylpiperazino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
K696-0147 Screening compound: 2-methyl-4-(4-phenylpiperazino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K696-0147
2-methyl-4-(4-phenylpiperazino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

K696-0147

Molecular Formula

C21H24N4S (C21 H24 N4 S)

Compound Name

2-methyl-4-(4-phenylpiperazino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

5-methyl-3-(4-phenylpiperazin-1-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

Cc1nc(N(CC2)CCN2c2ccccc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C21H24N4S/c1-15-22-20(19-17-9-5-6-10-18(17)26-21(19)23-15)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-4,7-8H,5-6,9-14H2,1H3

InChI Key

HEYVUOFAZZMOJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03762507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-5.34

Polar Surface Area

26.094

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

K696-0147 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with K696-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K696-0147?
Check Price and Availability of K696-0147, 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 K696-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K696-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K696-0147
  • 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 K696-0147 available by request