S639-8990 Screening compound: N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-1,3-dimethyl-1H-pyrazole-4-carboxamide

S639-8990 Screening compound: N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-1,3-dimethyl-1H-pyrazole-4-carboxamide
S639-8990 Screening compound: N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-1,3-dimethyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-8990
N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-1,3-dimethyl-1H-pyrazole-4-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

S639-8990

Molecular Formula

C14H25N5O3S (C14 H25 N5 O3 S)

Compound Name

N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl}-1,3-dimethyl-1H-pyrazole-4-carboxamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-yl]-13-dimethyl-1H-pyrazole-4-carboxamide

SMILES

Cc1nn(C)cc1C(N[C@@H](C1)[C@@H](CN(C)C)CN1S(C)(=O)=O)=O

InChI

InChI=1S/C14H25N5O3S/c1-10-12(8-18(4)16-10)14(20)15-13-9-19(23(5,21)22)7-11(13)6-17(2)3/h8,11,13H,6-7,9H2,1-5H3,(H,15,20)/t11-,13-/m1/s1

InChI Key

VANJXRKUDJALFY-DGCLKSJQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.927

Distribution Coefficient, logD

-2.852

Water Solubility, LogSw

-1.79

Polar Surface Area

75.332

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.40

S639-8990 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S639-8990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-8990?
Check Price and Availability of S639-8990, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S639-8990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-8990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-8990
  • 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 S639-8990 available by request