SD31-0244 Screening compound: N~3~-cyclopropyl-1-{2-[(2-thienylcarbonyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

SD31-0244 Screening compound: N~3~-cyclopropyl-1-{2-[(2-thienylcarbonyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SD31-0244 Screening compound: N~3~-cyclopropyl-1-{2-[(2-thienylcarbonyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0244
N~3~-cyclopropyl-1-{2-[(2-thienylcarbonyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[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

SD31-0244

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

N~3~-cyclopropyl-1-{2-[(2-thienylcarbonyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-cyclopropyl-1-{2-[(thiophen-2-yl)formamido]ethyl}-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

O=C(c1cccs1)NCCn1nc(C(NC2CC2)=O)c2c1CCOC2

InChI

InChI=1S/C17H20N4O3S/c22-16(14-2-1-9-25-14)18-6-7-21-13-5-8-24-10-12(13)15(20-21)17(23)19-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,18,22)(H,19,23)

InChI Key

NSIOYVOLFJJTEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.340

Distribution Coefficient, logD

0.340

Water Solubility, LogSw

-2.00

Polar Surface Area

73.019

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

SD31-0244 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD31-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0244?
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What is the minimum amount of SD31-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0244
  • 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 SD31-0244 available by request