8755-0351 Screening compound: N~1~-[2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-adamantanecarboxamide

8755-0351 Screening compound: N~1~-[2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-adamantanecarboxamide
8755-0351 Screening compound: N~1~-[2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0351
N~1~-[2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-adamantanecarboxamide

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

8755-0351

Molecular Formula

C22H27N3O2S (C22 H27 N3 O2 S)

Compound Name

N~1~-[2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-adamantanecarboxamide

IUPAC name

N-{5-methyl-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-4-yl}adamantane-1-carboxamide

SMILES

CC(N1NC(C2(CC(C3)C4)CC4CC3C2)=O)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C22H27N3O2S/c1-12-23-19-18(16-4-2-3-5-17(16)28-19)20(26)25(12)24-21(27)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-11H2,1H3,(H,24,27)

InChI Key

DPCUNQINHSNVOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01833835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.30

Polar Surface Area

50.643

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

8755-0351 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8755-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0351?
Check Price and Availability of 8755-0351, 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 8755-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0351
  • 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 8755-0351 available by request