C799-0589 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole

C799-0589 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole
C799-0589 Screening compound: 1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0589
1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole

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

C799-0589

Molecular Formula

C12H12ClN (C12 H12 ClN)

Compound Name

1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrole

IUPAC name

1-(4-chlorophenyl)-25-dimethyl-1H-pyrrole

SMILES

Cc1ccc(C)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C12H12ClN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3

InChI Key

NNKFIFOSLJJRES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00027420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.69

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.76

Polar Surface Area

3.127

Acid Dissociation Constant (pKa)

31.86

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

C799-0589 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C799-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0589?
Check Price and Availability of C799-0589, 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 C799-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0589
  • 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 C799-0589 available by request