S981-0112 Screening compound: N-[5-(2-ethylbutanoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanesulfonamide

S981-0112 Screening compound: N-[5-(2-ethylbutanoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanesulfonamide
S981-0112 Screening compound: N-[5-(2-ethylbutanoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S981-0112
N-[5-(2-ethylbutanoyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methanesulfonamide

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

S981-0112

Molecular Formula

C14H24N4O3S (C14 H24 N4 O3 S)

Compound Name

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

IUPAC name

N-[5-(2-ethylbutanoyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methanesulfonamide

SMILES

CCC(CC)C(N(CC1)Cc2c1n(C)nc2NS(C)(=O)=O)=O

InChI

InChI=1S/C14H24N4O3S/c1-5-10(6-2)14(19)18-8-7-12-11(9-18)13(15-17(12)3)16-22(4,20)21/h10H,5-9H2,1-4H3,(H,15,16)

InChI Key

KOWFJGJODXBDSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32232390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.748

Distribution Coefficient, logD

-1.198

Water Solubility, LogSw

-1.84

Polar Surface Area

73.574

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.43

S981-0112 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S981-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S981-0112?
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What is the minimum amount of S981-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S981-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S981-0112
  • 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 S981-0112 available by request