P944-0585 Screening compound: (3,4-diethoxyphenyl)[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

P944-0585 Screening compound: (3,4-diethoxyphenyl)[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone
P944-0585 Screening compound: (3,4-diethoxyphenyl)[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0585
(3,4-diethoxyphenyl)[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]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

P944-0585

Molecular Formula

C19H26N4O3 (C19 H26 N4 O3)

Compound Name

(3,4-diethoxyphenyl)[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

IUPAC name

n/a

SMILES

CCc1nncn1C(CC1)CN1C(c(cc1)cc(OCC)c1OCC)=O

InChI

InChI=1S/C19H26N4O3/c1-4-18-21-20-13-23(18)15-9-10-22(12-15)19(24)14-7-8-16(25-5-2)17(11-14)26-6-3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3/t15-/m1/s1

InChI Key

HLUOMQJOVJQZNB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27616214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.176

Distribution Coefficient, logD

1.175

Water Solubility, LogSw

-2.08

Polar Surface Area

57.039

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

P944-0585 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P944-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0585?
Check Price and Availability of P944-0585, 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 P944-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0585
  • 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 P944-0585 available by request