P636-0080 Screening compound: N4-(2-CHLOROBENZYL)-1-(6-OXO-1

P636-0080 Screening compound: N4-(2-CHLOROBENZYL)-1-(6-OXO-1
P636-0080 Screening compound: N4-(2-CHLOROBENZYL)-1-(6-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound P636-0080
N4-(2-CHLOROBENZYL)-1-(6-OXO-1

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

P636-0080

Molecular Formula

C17H19ClN4O2 (C17 H19 ClN4 O2)

Compound Name

N4-(2-CHLOROBENZYL)-1-(6-OXO-1

IUPAC name

n/a

SMILES

O=C(C(CC1)CCN1C(C=NN1)=CC1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C17H19ClN4O2/c18-15-4-2-1-3-13(15)10-19-17(24)12-5-7-22(8-6-12)14-9-16(23)21-20-11-14/h1-4,9,11-12H,5-8,10H2,(H,19,24)(H,21,23)

InChI Key

UIOKCDFLDINMNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-3.00

Polar Surface Area

66.582

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

P636-0080 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P636-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P636-0080?
Check Price and Availability of P636-0080, 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 P636-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P636-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P636-0080
  • 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 P636-0080 available by request