S204-0072 Screening compound: (1-methyl-1H-pyrrol-2-yl)[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]methanone

S204-0072 Screening compound: (1-methyl-1H-pyrrol-2-yl)[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]methanone
S204-0072 Screening compound: (1-methyl-1H-pyrrol-2-yl)[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S204-0072
(1-methyl-1H-pyrrol-2-yl)[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]methanone

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

S204-0072

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

(1-methyl-1H-pyrrol-2-yl)[4-(1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)piperidino]methanone

IUPAC name

4-{1-methyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine

SMILES

Cn1c(C(N(CC2)CCC2c2nn(C)c3c2COCC3)=O)ccc1

InChI

InChI=1S/C18H24N4O2/c1-20-8-3-4-16(20)18(23)22-9-5-13(6-10-22)17-14-12-24-11-7-15(14)21(2)19-17/h3-4,8,13H,5-7,9-12H2,1-2H3

InChI Key

HDFWTXQAPPPANU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.857

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-1.79

Polar Surface Area

42.377

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S204-0072 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S204-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S204-0072?
Check Price and Availability of S204-0072, 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 S204-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S204-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S204-0072
  • 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 S204-0072 available by request