P970-0053 Screening compound: 5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide

P970-0053 Screening compound: 5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide
P970-0053 Screening compound: 5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0053
5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide

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

P970-0053

Molecular Formula

C12H17NO2S (C12 H17 NO2 S)

Compound Name

5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide

IUPAC name

5-methyl-N-[(oxan-4-yl)methyl]thiophene-2-carboxamide

SMILES

Cc1ccc(C(NCC2CCOCC2)=O)s1

InChI

InChI=1S/C12H17NO2S/c1-9-2-3-11(16-9)12(14)13-8-10-4-6-15-7-5-10/h2-3,10H,4-8H2,1H3,(H,13,14)

InChI Key

PUELPTWQKBFASG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.341

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.62

Polar Surface Area

33.771

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

P970-0053 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P970-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0053?
Check Price and Availability of P970-0053, 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 P970-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0053
  • 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 P970-0053 available by request