S639-1288 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide

S639-1288 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide
S639-1288 Screening compound: N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1288
N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide

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

S639-1288

Molecular Formula

C17H28N4O2 (C17 H28 N4 O2)

Compound Name

N~1~-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyridylmethyl)tetrahydro-1H-pyrrol-3-yl]-3-methoxypropanamide

IUPAC name

n/a

SMILES

CN(C)C[C@@H](CN(Cc1ncccc1)C1)[C@H]1NC(CCOC)=O

InChI

InChI=1S/C17H28N4O2/c1-20(2)10-14-11-21(12-15-6-4-5-8-18-15)13-16(14)19-17(22)7-9-23-3/h4-6,8,14,16H,7,9-13H2,1-3H3,(H,19,22)/t14-,16-/m0/s1

InChI Key

NRRSXQZYZIAWEQ-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.298

Distribution Coefficient, logD

-2.422

Water Solubility, LogSw

-1.73

Polar Surface Area

50.371

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

S639-1288 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 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 S639-1288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1288?
Check Price and Availability of S639-1288, 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 S639-1288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1288
  • 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 S639-1288 available by request