C200-8326 Screening compound: N~1~-[3-(1-adamantyloxy)propyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

C200-8326 Screening compound: N~1~-[3-(1-adamantyloxy)propyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide
C200-8326 Screening compound: N~1~-[3-(1-adamantyloxy)propyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8326
N~1~-[3-(1-adamantyloxy)propyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

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

C200-8326

Molecular Formula

C26H35N3O3S (C26 H35 N3 O3 S)

Compound Name

N~1~-[3-(1-adamantyloxy)propyl]-3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)propanamide

IUPAC name

N-[3-(adamantan-1-yloxy)propyl]-3-{3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}propanamide

SMILES

O=C(CCC(N1)=Nc(sc2c3CCCC2)c3C1=O)NCCCOC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C26H35N3O3S/c30-22(27-8-3-9-32-26-13-16-10-17(14-26)12-18(11-16)15-26)7-6-21-28-24(31)23-19-4-1-2-5-20(19)33-25(23)29-21/h16-18H,1-15H2,(H,27,30)(H,28,29,31)

InChI Key

RJXQGOCSQWBGOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.293

Water Solubility, LogSw

-4.36

Polar Surface Area

65.297

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

C200-8326 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C200-8326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8326?
Check Price and Availability of C200-8326, 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 C200-8326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8326
  • 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 C200-8326 available by request