S639-1762 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide

S639-1762 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
S639-1762 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1762
N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-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

S639-1762

Molecular Formula

C20H35N5O2 (C20 H35 N5 O2)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(C)nn1CCC(N[C@@H](C1)[C@@H](CN(C)C)CN1C1CCOCC1)=O

InChI

InChI=1S/C20H35N5O2/c1-15-11-16(2)25(22-15)8-5-20(26)21-19-14-24(13-17(19)12-23(3)4)18-6-9-27-10-7-18/h11,17-19H,5-10,12-14H2,1-4H3,(H,21,26)/t17-,19-/m0/s1

InChI Key

USUGCUYBBYHVLI-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.243

Distribution Coefficient, logD

-3.098

Water Solubility, LogSw

-1.13

Polar Surface Area

53.661

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.00

S639-1762 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S639-1762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1762?
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What is the minimum amount of S639-1762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1762
  • 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 S639-1762 available by request