SD31-0059 Screening compound: 6-oxo-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

SD31-0059 Screening compound: 6-oxo-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
SD31-0059 Screening compound: 6-oxo-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1,4,5,6-tetrahydro-3-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0059
6-oxo-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

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

SD31-0059

Molecular Formula

C18H24N6O4 (C18 H24 N6 O4)

Compound Name

6-oxo-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

IUPAC name

6-oxo-N-{2-[3-(pyrrolidine-1-carbonyl)-1H4H6H7H-pyrano[43-c]pyrazol-1-yl]ethyl}-1456-tetrahydropyridazine-3-carboxamide

SMILES

O=C(c1nn(CCNC(C(CC2)=NNC2=O)=O)c2c1COCC2)N1CCCC1

InChI

InChI=1S/C18H24N6O4/c25-15-4-3-13(20-21-15)17(26)19-6-9-24-14-5-10-28-11-12(14)16(22-24)18(27)23-7-1-2-8-23/h1-11H2,(H,19,26)(H,21,25)

InChI Key

BHFNTGYGGFKCBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32260103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.239

Distribution Coefficient, logD

-1.339

Water Solubility, LogSw

-0.13

Polar Surface Area

101.954

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

SD31-0059 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 SD31-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0059?
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What is the minimum amount of SD31-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0059
  • 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 SD31-0059 available by request