S639-1675 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-2-(2-thienyl)acetamide

S639-1675 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-2-(2-thienyl)acetamide
S639-1675 Screening compound: N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-2-(2-thienyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1675
N~1~-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-2-(2-thienyl)acetamide

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

S639-1675

Molecular Formula

C18H29N3O2S (C18 H29 N3 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

CN(C)C[C@@H](CN(C1)C2CCOCC2)[C@H]1NC(Cc1cccs1)=O

InChI

InChI=1S/C18H29N3O2S/c1-20(2)11-14-12-21(15-5-7-23-8-6-15)13-17(14)19-18(22)10-16-4-3-9-24-16/h3-4,9,14-15,17H,5-8,10-13H2,1-2H3,(H,19,22)/t14-,17-/m0/s1

InChI Key

UDBCGYKYJLDULM-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.549

Distribution Coefficient, logD

-2.376

Water Solubility, LogSw

-2.14

Polar Surface Area

40.694

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.20

S639-1675 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 S639-1675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1675?
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What is the minimum amount of S639-1675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1675
  • 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 S639-1675 available by request