8011-5212 Screening compound: 2,4-dichloro-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]benzamide

8011-5212 Screening compound: 2,4-dichloro-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]benzamide
8011-5212 Screening compound: 2,4-dichloro-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5212
2,4-dichloro-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]benzamide

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

8011-5212

Molecular Formula

C16H14Cl2N2O3S (C16 H14 Cl2 N2 O3 S)

Compound Name

2,4-dichloro-N~1~-[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]benzamide

IUPAC name

24-dichloro-N-(1-methanesulfonyl-23-dihydro-1H-indol-5-yl)benzamide

SMILES

CS(N(CC1)c(cc2)c1cc2NC(c(ccc(Cl)c1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C16H14Cl2N2O3S/c1-24(22,23)20-7-6-10-8-12(3-5-15(10)20)19-16(21)13-4-2-11(17)9-14(13)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)

InChI Key

ITSAUHKEQIVICZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01990295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.342

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.90

Polar Surface Area

54.612

Acid Dissociation Constant (pKa)

8.95

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8011-5212 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 8011-5212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5212?
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What is the minimum amount of 8011-5212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5212
  • 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 8011-5212 available by request