S823-6809 Screening compound: N~2~-{(3S,4R)-4-(hydroxymethyl)-1-[(5-methyl-2-furyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

S823-6809 Screening compound: N~2~-{(3S,4R)-4-(hydroxymethyl)-1-[(5-methyl-2-furyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide
S823-6809 Screening compound: N~2~-{(3S,4R)-4-(hydroxymethyl)-1-[(5-methyl-2-furyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6809
N~2~-{(3S,4R)-4-(hydroxymethyl)-1-[(5-methyl-2-furyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

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

S823-6809

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

N~2~-{(3S,4R)-4-(hydroxymethyl)-1-[(5-methyl-2-furyl)methyl]tetrahydro-1H-pyrrol-3-yl}-2-pyrazinecarboxamide

IUPAC name

n/a

SMILES

Cc1ccc(CN(C[C@@H]2CO)C[C@@H]2NC(c2nccnc2)=O)o1

InChI

InChI=1S/C16H20N4O3/c1-11-2-3-13(23-11)8-20-7-12(10-21)15(9-20)19-16(22)14-6-17-4-5-18-14/h2-6,12,15,21H,7-10H2,1H3,(H,19,22)/t12-,15+/m1/s1

InChI Key

NOCRGKDFUFGCCC-DOMZBBRYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.026

Distribution Coefficient, logD

-2.232

Water Solubility, LogSw

-1.17

Polar Surface Area

71.484

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with S823-6809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6809?
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What is the minimum amount of S823-6809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6809
  • 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 S823-6809 available by request