8016-2147 Screening compound: 3-[(Z)-1-(2-ethoxyphenyl)methylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

8016-2147 Screening compound: 3-[(Z)-1-(2-ethoxyphenyl)methylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole
8016-2147 Screening compound: 3-[(Z)-1-(2-ethoxyphenyl)methylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2147
3-[(Z)-1-(2-ethoxyphenyl)methylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

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

8016-2147

Molecular Formula

C24H21N3O7S (C24 H21 N3 O7 S)

Compound Name

3-[(Z)-1-(2-ethoxyphenyl)methylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-1,2-dihydro-3H-indole

IUPAC name

(3Z)-3-[(2-ethoxyphenyl)methylidene]-1-(4-methylbenzenesulfonyl)-46-dinitro-23-dihydro-1H-indole

SMILES

CCOc1c(/C=C(\C2)/c(c([N+]([O-])=O)cc([N+]([O-])=O)c3)c3N2S(c2ccc(C)cc2)(=O)=O)cccc1

InChI

InChI=1S/C24H21N3O7S/c1-3-34-23-7-5-4-6-17(23)12-18-15-25(35(32,33)20-10-8-16(2)9-11-20)21-13-19(26(28)29)14-22(24(18)21)27(30)31/h4-14H,3,15H2,1-2H3

InChI Key

LNHRZDMWWICZNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.55

Polar Surface Area

105.091

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-19.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8016-2147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2147?
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What is the minimum amount of 8016-2147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2147
  • 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 8016-2147 available by request