S892-0991 Screening compound: 2-(1-isobutyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-N-isopropyltetrahydro-1(2H)-pyridinecarboxamide

S892-0991 Screening compound: 2-(1-isobutyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-N-isopropyltetrahydro-1(2H)-pyridinecarboxamide
S892-0991 Screening compound: 2-(1-isobutyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-N-isopropyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-0991
2-(1-isobutyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-N-isopropyltetrahydro-1(2H)-pyridinecarboxamide

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

S892-0991

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

2-(1-isobutyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)-N-isopropyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

2-[1-(2-methylpropyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-N-(propan-2-yl)piperidine-1-carboxamide

SMILES

CC(C)Cn1nc(C(CCCC2)N2C(NC(C)C)=O)c2c1CCOC2

InChI

InChI=1S/C19H32N4O2/c1-13(2)11-23-16-8-10-25-12-15(16)18(21-23)17-7-5-6-9-22(17)19(24)20-14(3)4/h13-14,17H,5-12H2,1-4H3,(H,20,24)/t17-/m0/s1

InChI Key

MOCRWXDNOZLYIX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31953331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.18

Polar Surface Area

48.757

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

S892-0991 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S892-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-0991?
Check Price and Availability of S892-0991, 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 S892-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-0991
  • 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 S892-0991 available by request