S823-1861 Screening compound: N~2~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-6-methyl-2-pyridinecarboxamide

S823-1861 Screening compound: N~2~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-6-methyl-2-pyridinecarboxamide
S823-1861 Screening compound: N~2~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-6-methyl-2-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-1861
N~2~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-6-methyl-2-pyridinecarboxamide

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

S823-1861

Molecular Formula

C16H19N5O2 (C16 H19 N5 O2)

Compound Name

N~2~-[(3S,4R)-4-(hydroxymethyl)-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-6-methyl-2-pyridinecarboxamide

IUPAC name

N-[(3S4R)-4-(hydroxymethyl)-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyridine-2-carboxamide

SMILES

Cc1cccc(C(N[C@@H](C2)[C@@H](CO)CN2c2ncncc2)=O)n1

InChI

InChI=1S/C16H19N5O2/c1-11-3-2-4-13(19-11)16(23)20-14-8-21(7-12(14)9-22)15-5-6-17-10-18-15/h2-6,10,12,14,22H,7-9H2,1H3,(H,20,23)/t12-,14+/m1/s1

InChI Key

SIHTUHQCNUVQOT-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.608

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-1.26

Polar Surface Area

73.451

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with S823-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-1861?
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What is the minimum amount of S823-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-1861
  • 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 S823-1861 available by request