P970-1048 Screening compound: N~2~,3-DIMETHYL-N~2~-[(4-METHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL]-2-THIOPHENECARBOXAMIDE

P970-1048 Screening compound: N~2~,3-DIMETHYL-N~2~-[(4-METHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL]-2-THIOPHENECARBOXAMIDE
P970-1048 Screening compound: N~2~,3-DIMETHYL-N~2~-[(4-METHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL]-2-THIOPHENECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-1048
N~2~,3-DIMETHYL-N~2~-[(4-METHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL]-2-THIOPHENECARBOXAMIDE

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

P970-1048

Molecular Formula

C14H21NO2S (C14 H21 NO2 S)

Compound Name

N~2~,3-DIMETHYL-N~2~-[(4-METHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL]-2-THIOPHENECARBOXAMIDE

IUPAC name

n/a

SMILES

CC1(CN(C)C(c2c(C)ccs2)=O)CCOCC1

InChI

InChI=1S/C14H21NO2S/c1-11-4-9-18-12(11)13(16)15(3)10-14(2)5-7-17-8-6-14/h4,9H,5-8,10H2,1-3H3

InChI Key

YWOYLOXMQKWBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.472

Water Solubility, LogSw

-2.42

Polar Surface Area

25.508

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.30

P970-1048 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P970-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-1048?
Check Price and Availability of P970-1048, 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 P970-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-1048
  • 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 P970-1048 available by request