C799-0737 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile

C799-0737 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile
C799-0737 Screening compound: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0737
2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile

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

C799-0737

Molecular Formula

C13H12N2 (C13 H12 N2)

Compound Name

2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile

IUPAC name

25-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile

SMILES

Cc1cc(C#N)c(C)n1-c1ccccc1

InChI

InChI=1S/C13H12N2/c1-10-8-12(9-14)11(2)15(10)13-6-4-3-5-7-13/h3-8H,1-2H3

InChI Key

CDDGPEUBNFMYMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02697165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.76

Polar Surface Area

19.959

Acid Dissociation Constant (pKa)

31.86

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C799-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0737?
Check Price and Availability of C799-0737, 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 C799-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0737
  • 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 C799-0737 available by request