SC21-0235 Screening compound: 3,5-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}isoxazole

SC21-0235 Screening compound: 3,5-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}isoxazole
SC21-0235 Screening compound: 3,5-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}isoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC21-0235
3,5-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}isoxazole

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

SC21-0235

Molecular Formula

C19H26N6O3S (C19 H26 N6 O3 S)

Compound Name

3,5-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl}isoxazole

IUPAC name

35-dimethyl-4-{[1-methyl-3-(5-methyl-1-propyl-1H-imidazol-2-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]sulfonyl}-12-oxazole

SMILES

CCCn1c(-c2nn(C)c(CC3)c2CN3S(c2c(C)onc2C)(=O)=O)ncc1C

InChI

InChI=1S/C19H26N6O3S/c1-6-8-25-12(2)10-20-19(25)17-15-11-24(9-7-16(15)23(5)21-17)29(26,27)18-13(3)22-28-14(18)4/h10H,6-9,11H2,1-5H3

InChI Key

PVRWWNTYGFCOHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.339

Distribution Coefficient, logD

1.314

Water Solubility, LogSw

-1.75

Polar Surface Area

79.830

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

SC21-0235 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC21-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC21-0235?
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What is the minimum amount of SC21-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC21-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC21-0235
  • 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 SC21-0235 available by request