2762-0184 Screening compound: 2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-1H-pyrrole

2762-0184 Screening compound: 2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-1H-pyrrole
2762-0184 Screening compound: 2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-1H-pyrrole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2762-0184
2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-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

2762-0184

Molecular Formula

C23H18N2O2S (C23 H18 N2 O2 S)

Compound Name

2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-1H-pyrrole

IUPAC name

2-methyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-5-phenyl-1H-pyrrole

SMILES

Cc1ccc(-c2ccccc2)n1-c(cc1)ccc1Sc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C23H18N2O2S/c1-17-7-16-23(18-5-3-2-4-6-18)24(17)19-8-12-21(13-9-19)28-22-14-10-20(11-15-22)25(26)27/h2-16H,1H3

InChI Key

SCQQAQRMTQNJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.899

Distribution Coefficient, logD

6.899

Water Solubility, LogSw

-6.04

Polar Surface Area

34.995

Acid Dissociation Constant (pKa)

31.98

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

2762-0184 in Drug Discovery

Included in Screening Libraries

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 2762-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2762-0184?
Check Price and Availability of 2762-0184, 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 2762-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2762-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2762-0184
  • 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 2762-0184 available by request