SD31-0005 Screening compound: 2,6-dimethoxy-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}nicotinamide

SD31-0005 Screening compound: 2,6-dimethoxy-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}nicotinamide
SD31-0005 Screening compound: 2,6-dimethoxy-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0005
2,6-dimethoxy-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}nicotinamide

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

SD31-0005

Molecular Formula

C21H27N5O5 (C21 H27 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)nc(OC)c1C(NCCn1nc(C(N2CCCC2)=O)c2c1CCOC2)=O

InChI

InChI=1S/C21H27N5O5/c1-29-17-6-5-14(20(23-17)30-2)19(27)22-8-11-26-16-7-12-31-13-15(16)18(24-26)21(28)25-9-3-4-10-25/h5-6H,3-4,7-13H2,1-2H3,(H,22,27)

InChI Key

HVMKOBBBQQKZEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-2.22

Polar Surface Area

88.906

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

SD31-0005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD31-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0005?
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What is the minimum amount of SD31-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0005
  • 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 SD31-0005 available by request