S639-1342 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

S639-1342 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
S639-1342 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1342
N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

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

S639-1342

Molecular Formula

C21H32N6O (C21 H32 N6 O)

Compound Name

N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

IUPAC name

n/a

SMILES

Cc1cc(C)nn1CCC(N[C@@H]1[C@@H](CN(C)C)CN(Cc2ncccc2)C1)=O

InChI

InChI=1S/C21H32N6O/c1-16-11-17(2)27(24-16)10-8-21(28)23-20-15-26(13-18(20)12-25(3)4)14-19-7-5-6-9-22-19/h5-7,9,11,18,20H,8,10,12-15H2,1-4H3,(H,23,28)/t18-,20-/m0/s1

InChI Key

UNGBUBMCRILBJD-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.157

Distribution Coefficient, logD

-2.282

Water Solubility, LogSw

-1.84

Polar Surface Area

55.743

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

S639-1342 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S639-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1342?
Check Price and Availability of S639-1342, 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 S639-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1342
  • 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 S639-1342 available by request