F878-0077 Screening compound: 3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide

F878-0077 Screening compound: 3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide
F878-0077 Screening compound: 3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F878-0077
3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide

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

F878-0077

Molecular Formula

C21H17ClN2O2S (C21 H17 ClN2 O2 S)

Compound Name

3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide

IUPAC name

3-chloro-N-[4-(1H-indol-2-yl)phenyl]-2-methylbenzene-1-sulfonamide

SMILES

Cc(c(S(Nc(cc1)ccc1-c1cc(cccc2)c2[nH]1)(=O)=O)ccc1)c1Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-14-18(22)6-4-8-21(14)27(25,26)24-17-11-9-15(10-12-17)20-13-16-5-2-3-7-19(16)23-20/h2-13,23-24H,1H3

InChI Key

DIYIVYISUWKPCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.076

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-6.50

Polar Surface Area

49.966

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

F878-0077 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 F878-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F878-0077?
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What is the minimum amount of F878-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F878-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F878-0077
  • 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 F878-0077 available by request