K810-0012 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-phenylamine

K810-0012 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-phenylamine
K810-0012 Screening compound: N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-phenylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K810-0012
N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-phenylamine

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

K810-0012

Molecular Formula

C23H21N3S (C23 H21 N3 S)

Compound Name

N-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-phenylamine

IUPAC name

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

SMILES

C(c1ccccc1)c1nc(Nc2ccccc2)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C23H21N3S/c1-3-9-16(10-4-1)15-20-25-22(24-17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)27-23(21)26-20/h1-6,9-12H,7-8,13-15H2,(H,24,25,26)

InChI Key

AIIVIZNLGYHFFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

6.368

Water Solubility, LogSw

-6.33

Polar Surface Area

30.106

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K810-0012 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K810-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K810-0012?
Check Price and Availability of K810-0012, 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 K810-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K810-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K810-0012
  • 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 K810-0012 available by request