S823-1772 Screening compound: [(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl](2-hydroxy-4-pyridyl)methanone

S823-1772 Screening compound: [(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl](2-hydroxy-4-pyridyl)methanone
S823-1772 Screening compound: [(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl](2-hydroxy-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-1772
[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl](2-hydroxy-4-pyridyl)methanone

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

S823-1772

Molecular Formula

C13H19N3O3 (C13 H19 N3 O3)

Compound Name

[(3S,4R)-3-(dimethylamino)-4-(hydroxymethyl)tetrahydro-1H-pyrrol-1-yl](2-hydroxy-4-pyridyl)methanone

IUPAC name

n/a

SMILES

CN(C)[C@@H](C1)[C@@H](CO)CN1C(c1cc(O)ncc1)=O

InChI

InChI=1S/C13H19N3O3/c1-15(2)11-7-16(6-10(11)8-17)13(19)9-3-4-14-12(18)5-9/h3-5,10-11,17H,6-8H2,1-2H3,(H,14,18)/t10-,11+/m0/s1

InChI Key

ZAPWWUOYCMIEIA-WDEREUQCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.113

Distribution Coefficient, logD

-2.070

Water Solubility, LogSw

-1.06

Polar Surface Area

62.452

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.80

S823-1772 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S823-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-1772?
Check Price and Availability of S823-1772, 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 S823-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-1772
  • 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 S823-1772 available by request