SD31-0046 Screening compound: N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-pyrazole-3-carboxamide

SD31-0046 Screening compound: N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-pyrazole-3-carboxamide
SD31-0046 Screening compound: N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0046
N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-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

SD31-0046

Molecular Formula

C17H22N6O3 (C17 H22 N6 O3)

Compound Name

N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-pyrazole-3-carboxamide

IUPAC name

N-{2-[3-(pyrrolidine-1-carbonyl)-1H4H6H7H-pyrano[43-c]pyrazol-1-yl]ethyl}-1H-pyrazole-3-carboxamide

SMILES

O=C(c1n[nH]cc1)NCCn1nc(C(N2CCCC2)=O)c2c1CCOC2

InChI

InChI=1S/C17H22N6O3/c24-16(13-3-5-19-20-13)18-6-9-23-14-4-10-26-11-12(14)15(21-23)17(25)22-7-1-2-8-22/h3,5H,1-2,4,6-11H2,(H,18,24)(H,19,20)

InChI Key

RWPZVDFFLMKGSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.474

Distribution Coefficient, logD

-0.474

Water Solubility, LogSw

-1.55

Polar Surface Area

88.146

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

SD31-0046 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 SD31-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0046?
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What is the minimum amount of SD31-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0046
  • 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 SD31-0046 available by request