SD31-0048 Screening compound: 1-methyl-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-indazole-3-carboxamide

SD31-0048 Screening compound: 1-methyl-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-indazole-3-carboxamide
SD31-0048 Screening compound: 1-methyl-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0048
1-methyl-N~3~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}-1H-indazole-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

SD31-0048

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(NCCn2nc(C(N3CCCC3)=O)c3c2CCOC3)=O)c2c1cccc2

InChI

InChI=1S/C22H26N6O3/c1-26-17-7-3-2-6-15(17)19(24-26)21(29)23-9-12-28-18-8-13-31-14-16(18)20(25-28)22(30)27-10-4-5-11-27/h2-3,6-7H,4-5,8-14H2,1H3,(H,23,29)

InChI Key

WXQRSKTWZIZXKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.465

Distribution Coefficient, logD

0.465

Water Solubility, LogSw

-1.97

Polar Surface Area

79.081

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

SD31-0048 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 SD31-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0048?
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What is the minimum amount of SD31-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0048
  • 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 SD31-0048 available by request