P944-0907 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

P944-0907 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone
P944-0907 Screening compound: (2,6-dimethoxy-3-pyridyl)[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0907
(2,6-dimethoxy-3-pyridyl)[3-(3-isopropyl-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

P944-0907

Molecular Formula

C17H23N5O3 (C17 H23 N5 O3)

Compound Name

(2,6-dimethoxy-3-pyridyl)[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

IUPAC name

26-dimethoxy-3-{3-[3-(propan-2-yl)-4H-124-triazol-4-yl]pyrrolidine-1-carbonyl}pyridine

SMILES

CC(C)c1nncn1C(CC1)CN1C(c(ccc(OC)n1)c1OC)=O

InChI

InChI=1S/C17H23N5O3/c1-11(2)15-20-18-10-22(15)12-7-8-21(9-12)17(23)13-5-6-14(24-3)19-16(13)25-4/h5-6,10-12H,7-9H2,1-4H3/t12-/m1/s1

InChI Key

HRTGUKMVTNVDCN-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27616224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.884

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-2.53

Polar Surface Area

66.004

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

P944-0907 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P944-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0907?
Check Price and Availability of P944-0907, 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 P944-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0907
  • 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 P944-0907 available by request