S823-4000 Screening compound: [4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol

S823-4000 Screening compound: [4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol
S823-4000 Screening compound: [4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-4000
[4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol

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

S823-4000

Molecular Formula

C18H30N2O3 (C18 H30 N2 O3)

Compound Name

[4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol

IUPAC name

[(3R4S)-4-(dimethylamino)-1-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}pyrrolidin-3-yl]methanol

SMILES

CC(C)Oc(ccc(CN(C[C@@H]1CO)C[C@@H]1N(C)C)c1)c1OC

InChI

InChI=1S/C18H30N2O3/c1-13(2)23-17-7-6-14(8-18(17)22-5)9-20-10-15(12-21)16(11-20)19(3)4/h6-8,13,15-16,21H,9-12H2,1-5H3/t15-,16+/m0/s1

InChI Key

KUARBBQHWJOKNO-JKSUJKDBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

-1.106

Water Solubility, LogSw

-1.97

Polar Surface Area

37.750

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S823-4000 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 S823-4000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-4000?
Check Price and Availability of S823-4000, 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 S823-4000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-4000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-4000
  • 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 S823-4000 available by request