SD31-0251 Screening compound: N~3~-cyclopropyl-1-{2-[(2,3-dimethoxybenzoyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

SD31-0251 Screening compound: N~3~-cyclopropyl-1-{2-[(2,3-dimethoxybenzoyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SD31-0251 Screening compound: N~3~-cyclopropyl-1-{2-[(2,3-dimethoxybenzoyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD31-0251
N~3~-cyclopropyl-1-{2-[(2,3-dimethoxybenzoyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]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

SD31-0251

Molecular Formula

C21H26N4O5 (C21 H26 N4 O5)

Compound Name

N~3~-cyclopropyl-1-{2-[(2,3-dimethoxybenzoyl)amino]ethyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

IUPAC name

N-cyclopropyl-1-{2-[(23-dimethoxyphenyl)formamido]ethyl}-1H4H6H7H-pyrano[43-c]pyrazole-3-carboxamide

SMILES

COc1cccc(C(NCCn2nc(C(NC3CC3)=O)c3c2CCOC3)=O)c1OC

InChI

InChI=1S/C21H26N4O5/c1-28-17-5-3-4-14(19(17)29-2)20(26)22-9-10-25-16-8-11-30-12-15(16)18(24-25)21(27)23-13-6-7-13/h3-5,13H,6-12H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

CKYURZWNAXSPSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.613

Water Solubility, LogSw

-2.12

Polar Surface Area

87.348

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

References: we are preparing a list of scientific research reports with SD31-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD31-0251?
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What is the minimum amount of SD31-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD31-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD31-0251
  • 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 SD31-0251 available by request