P970-0100 Screening compound: 5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide

P970-0100 Screening compound: 5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide
P970-0100 Screening compound: 5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P970-0100
5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide

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

P970-0100

Molecular Formula

C14H18ClNO3 (C14 H18 ClNO3)

Compound Name

5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide

IUPAC name

5-chloro-2-methoxy-N-[(oxan-4-yl)methyl]benzamide

SMILES

COc(ccc(Cl)c1)c1C(NCC1CCOCC1)=O

InChI

InChI=1S/C14H18ClNO3/c1-18-13-3-2-11(15)8-12(13)14(17)16-9-10-4-6-19-7-5-10/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)

InChI Key

FCIQHXIIHHGXSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.50

Polar Surface Area

40.383

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P970-0100 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P970-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P970-0100?
Check Price and Availability of P970-0100, 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 P970-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P970-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P970-0100
  • 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 P970-0100 available by request