S639-1850 Screening compound: N-cyclopentyl-N'-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}urea

S639-1850 Screening compound: N-cyclopentyl-N'-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}urea
S639-1850 Screening compound: N-cyclopentyl-N'-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1850
N-cyclopentyl-N'-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}urea

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

S639-1850

Molecular Formula

C18H34N4O2 (C18 H34 N4 O2)

Compound Name

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

IUPAC name

1-cyclopentyl-3-[(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]urea

SMILES

CN(C)C[C@@H](CN(C1)C2CCOCC2)[C@H]1NC(NC1CCCC1)=O

InChI

InChI=1S/C18H34N4O2/c1-21(2)11-14-12-22(16-7-9-24-10-8-16)13-17(14)20-18(23)19-15-5-3-4-6-15/h14-17H,3-13H2,1-2H3,(H2,19,20,23)/t14-,17-/m0/s1

InChI Key

JVICHOLJTYEHTL-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.966

Distribution Coefficient, logD

-3.537

Water Solubility, LogSw

-1.31

Polar Surface Area

50.514

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

11.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

94.44

S639-1850 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S639-1850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1850?
Check Price and Availability of S639-1850, 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 S639-1850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1850
  • 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 S639-1850 available by request