P936-3804 Screening compound: 3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(3,4-dimethylphenyl)-1-pyrrolidinecarboxamide

P936-3804 Screening compound: 3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(3,4-dimethylphenyl)-1-pyrrolidinecarboxamide
P936-3804 Screening compound: 3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(3,4-dimethylphenyl)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P936-3804
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(3,4-dimethylphenyl)-1-pyrrolidinecarboxamide

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

P936-3804

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-(3,4-dimethylphenyl)-1-pyrrolidinecarboxamide

IUPAC name

3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}-N-(34-dimethylphenyl)pyrrolidine-1-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(N1CC(Cc2nncn2CC2CC2)CC1)=O

InChI

InChI=1S/C20H27N5O/c1-14-3-6-18(9-15(14)2)22-20(26)24-8-7-17(12-24)10-19-23-21-13-25(19)11-16-4-5-16/h3,6,9,13,16-17H,4-5,7-8,10-12H2,1-2H3,(H,22,26)/t17-/m0/s1

InChI Key

OZWMIOVCVITAPT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29017694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.38

Polar Surface Area

51.591

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

P936-3804 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P936-3804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P936-3804?
Check Price and Availability of P936-3804, 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 P936-3804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P936-3804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P936-3804
  • 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 P936-3804 available by request