S639-1787 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-4-methylbenzamide

S639-1787 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-4-methylbenzamide
S639-1787 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1787
N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-4-methylbenzamide

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

S639-1787

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-4-methylbenzamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(N[C@@H](C1)[C@@H](CN(C)C)CN1C1CCOCC1)=O

InChI

InChI=1S/C20H31N3O2/c1-15-4-6-16(7-5-15)20(24)21-19-14-23(13-17(19)12-22(2)3)18-8-10-25-11-9-18/h4-7,17-19H,8-14H2,1-3H3,(H,21,24)/t17-,19-/m0/s1

InChI Key

IWQWRMOOIUKGBW-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

-0.558

Water Solubility, LogSw

-2.05

Polar Surface Area

39.889

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S639-1787 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S639-1787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1787?
Check Price and Availability of S639-1787, 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 S639-1787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1787
  • 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 S639-1787 available by request