SC98-0082 Screening compound: 5-methyl-2-[1-methyl-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole

SC98-0082 Screening compound: 5-methyl-2-[1-methyl-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
SC98-0082 Screening compound: 5-methyl-2-[1-methyl-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC98-0082
5-methyl-2-[1-methyl-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole

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

SC98-0082

Molecular Formula

C16H18N4OS (C16 H18 N4 OS)

Compound Name

5-methyl-2-[1-methyl-5-(3-thienylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole

IUPAC name

5-methyl-2-{1-methyl-5-[(thiophen-3-yl)methyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-13-oxazole

SMILES

Cc1cnc(-c2nn(C)c3c2CN(Cc2cscc2)CC3)o1

InChI

InChI=1S/C16H18N4OS/c1-11-7-17-16(21-11)15-13-9-20(8-12-4-6-22-10-12)5-3-14(13)19(2)18-15/h4,6-7,10H,3,5,8-9H2,1-2H3

InChI Key

NENIXPFPWONWDQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

-2.834

Water Solubility, LogSw

-2.15

Polar Surface Area

36.814

Acid Dissociation Constant (pKa)

23.22

Base Dissociation Constant (pKb)

12.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

SC98-0082 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC98-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC98-0082?
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What is the minimum amount of SC98-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC98-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC98-0082
  • 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 SC98-0082 available by request