K810-0052 Screening compound: 2-benzyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

K810-0052 Screening compound: 2-benzyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
K810-0052 Screening compound: 2-benzyl-4-(4-methylpiperidino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K810-0052
2-benzyl-4-(4-methylpiperidino)-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

K810-0052

Molecular Formula

C23H27N3S (C23 H27 N3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(Cc2ccccc2)n1

InChI

InChI=1S/C23H27N3S/c1-16-11-13-26(14-12-16)22-21-18-9-5-6-10-19(18)27-23(21)25-20(24-22)15-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3

InChI Key

UABCCYGLOPINGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.599

Distribution Coefficient, logD

6.512

Water Solubility, LogSw

-6.08

Polar Surface Area

23.939

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K810-0052 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K810-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K810-0052?
Check Price and Availability of K810-0052, 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 K810-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K810-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K810-0052
  • 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 K810-0052 available by request