S823-4375 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one

S823-4375 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one
S823-4375 Screening compound: 1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4375
1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one

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

S823-4375

Molecular Formula

C14H27N3O3 (C14 H27 N3 O3)

Compound Name

1-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one

IUPAC name

1-[(3S4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(morpholin-4-yl)propan-1-one

SMILES

CN(C)[C@@H](C1)[C@@H](CO)CN1C(CCN1CCOCC1)=O

InChI

InChI=1S/C14H27N3O3/c1-15(2)13-10-17(9-12(13)11-18)14(19)3-4-16-5-7-20-8-6-16/h12-13,18H,3-11H2,1-2H3/t12-,13+/m0/s1

InChI Key

OALFCJAFGICDQT-QWHCGFSZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.388

Distribution Coefficient, logD

-3.123

Water Solubility, LogSw

0.02

Polar Surface Area

47.509

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

92.86

S823-4375 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S823-4375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4375?
Check Price and Availability of S823-4375, 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 S823-4375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4375
  • 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 S823-4375 available by request