C660-0513 Screening compound: N-isobutyl-2-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

C660-0513 Screening compound: N-isobutyl-2-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
C660-0513 Screening compound: N-isobutyl-2-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0513
N-isobutyl-2-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

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

C660-0513

Molecular Formula

C16H19N3OS (C16 H19 N3 OS)

Compound Name

N-isobutyl-2-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

IUPAC name

2-methyl-N-(2-methylpropyl)-2H4H-thiochromeno[43-c]pyrazole-3-carboxamide

SMILES

CC(C)CNC(c1c(CSc2c-3cccc2)c3nn1C)=O

InChI

InChI=1S/C16H19N3OS/c1-10(2)8-17-16(20)15-12-9-21-13-7-5-4-6-11(13)14(12)18-19(15)3/h4-7,10H,8-9H2,1-3H3,(H,17,20)

InChI Key

WHVVZUZZFVPRSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-2.90

Polar Surface Area

38.725

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C660-0513 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C660-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0513?
Check Price and Availability of C660-0513, 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 C660-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0513
  • 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 C660-0513 available by request