S639-1655 Screening compound: N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-methylbenzamide

S639-1655 Screening compound: N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-methylbenzamide
S639-1655 Screening compound: N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1655
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-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

S639-1655

Molecular Formula

C20H31N3O2 (C20 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N[C@@H](C2)[C@@H](CN(C)C)CN2C2CCOCC2)=O)c1

InChI

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

InChI Key

BIOXQPFPQBUAKU-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

1.502

Distribution Coefficient, logD

-0.610

Water Solubility, LogSw

-2.12

Polar Surface Area

39.889

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S639-1655 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S639-1655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1655?
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What is the minimum amount of S639-1655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1655
  • 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 S639-1655 available by request