S639-8364 Screening compound: N~4~-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-4-pyridazinecarboxamide

S639-8364 Screening compound: N~4~-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-4-pyridazinecarboxamide
S639-8364 Screening compound: N~4~-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-4-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-8364
N~4~-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-4-pyridazinecarboxamide

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

S639-8364

Molecular Formula

C19H25N5O (C19 H25 N5 O)

Compound Name

N~4~-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-4-pyridazinecarboxamide

IUPAC name

N-[(3S4R)-1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]pyridazine-4-carboxamide

SMILES

CN(C)C[C@@H](CN(Cc1ccccc1)C1)[C@H]1NC(c1cnncc1)=O

InChI

InChI=1S/C19H25N5O/c1-23(2)12-17-13-24(11-15-6-4-3-5-7-15)14-18(17)22-19(25)16-8-9-20-21-10-16/h3-10,17-18H,11-14H2,1-2H3,(H,22,25)/t17-,18-/m0/s1

InChI Key

KFUYXIUUYVSHEZ-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.172

Distribution Coefficient, logD

-1.895

Water Solubility, LogSw

-1.46

Polar Surface Area

55.941

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

S639-8364 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S639-8364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-8364?
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What is the minimum amount of S639-8364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-8364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-8364
  • 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 S639-8364 available by request