S639-1169 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridyl)tetrahydro-1H-pyrrol-3-yl]-N'-propylurea

S639-1169 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridyl)tetrahydro-1H-pyrrol-3-yl]-N'-propylurea
S639-1169 Screening compound: N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridyl)tetrahydro-1H-pyrrol-3-yl]-N'-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1169
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridyl)tetrahydro-1H-pyrrol-3-yl]-N'-propylurea

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

S639-1169

Molecular Formula

C16H27N5O (C16 H27 N5 O)

Compound Name

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridyl)tetrahydro-1H-pyrrol-3-yl]-N'-propylurea

IUPAC name

1-[(3S4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-propylurea

SMILES

CCCNC(N[C@@H](C1)[C@@H](CN(C)C)CN1c1ncccc1)=O

InChI

InChI=1S/C16H27N5O/c1-4-8-18-16(22)19-14-12-21(11-13(14)10-20(2)3)15-7-5-6-9-17-15/h5-7,9,13-14H,4,8,10-12H2,1-3H3,(H2,18,19,22)/t13-,14-/m0/s1

InChI Key

KINDZCWJAVEZSV-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

-0.733

Water Solubility, LogSw

-1.78

Polar Surface Area

51.306

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S639-1169 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)

Soluble Diversity Library (15920 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 S639-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1169?
Check Price and Availability of S639-1169, 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 S639-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1169
  • 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 S639-1169 available by request