SD31-0023 Screening compound: 4-(1H-indol-3-yl)-N~1~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}butanamide

SD31-0023 Screening compound: 4-(1H-indol-3-yl)-N~1~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}butanamide
SD31-0023 Screening compound: 4-(1H-indol-3-yl)-N~1~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0023
4-(1H-indol-3-yl)-N~1~-{2-[3-(1-pyrrolidinylcarbonyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]ethyl}butanamide

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

SD31-0023

Molecular Formula

C25H31N5O3 (C25 H31 N5 O3)

Compound Name

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

IUPAC name

4-(1H-indol-3-yl)-N-{2-[3-(pyrrolidine-1-carbonyl)-1H4H6H7H-pyrano[43-c]pyrazol-1-yl]ethyl}butanamide

SMILES

O=C(CCCc1c[nH]c2c1cccc2)NCCn1nc(C(N2CCCC2)=O)c2c1CCOC2

InChI

InChI=1S/C25H31N5O3/c31-23(9-5-6-18-16-27-21-8-2-1-7-19(18)21)26-11-14-30-22-10-15-33-17-20(22)24(28-30)25(32)29-12-3-4-13-29/h1-2,7-8,16,27H,3-6,9-15,17H2,(H,26,31)

InChI Key

XYZCSRISGVVUQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.312

Distribution Coefficient, logD

1.312

Water Solubility, LogSw

-2.00

Polar Surface Area

74.202

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

SD31-0023 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SD31-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0023?
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What is the minimum amount of SD31-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0023
  • 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 SD31-0023 available by request