8014-9682 Screening compound: 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde

8014-9682 Screening compound: 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde
8014-9682 Screening compound: 2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9682
2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde

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

8014-9682

Molecular Formula

C12H12N2O (C12 H12 N2 O)

Compound Name

2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde

IUPAC name

25-dimethyl-1-(pyridin-3-yl)-1H-pyrrole-3-carbaldehyde

SMILES

Cc1cc(C=O)c(C)n1-c1cnccc1

InChI

InChI=1S/C12H12N2O/c1-9-6-11(8-15)10(2)14(9)12-4-3-5-13-7-12/h3-8H,1-2H3

InChI Key

PELMABXCQSKCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

1.440

Water Solubility, LogSw

-0.80

Polar Surface Area

26.580

Acid Dissociation Constant (pKa)

29.81

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8014-9682 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8014-9682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9682?
Check Price and Availability of 8014-9682, 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 8014-9682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9682
  • 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 8014-9682 available by request