8015-3173 Screening compound: (3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-methylbenzenesulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole

8015-3173 Screening compound: (3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-methylbenzenesulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
8015-3173 Screening compound: (3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-methylbenzenesulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3173
(3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-methylbenzenesulfonyl)-4,6-dinitro-2,3-dihydro-1H-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

8015-3173

Molecular Formula

C22H16ClN3O6S (C22 H16 ClN3 O6 S)

Compound Name

(3Z)-3-[(4-chlorophenyl)methylidene]-1-(4-methylbenzenesulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole

IUPAC name

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

SMILES

Cc(cc1)ccc1S(N(C1)c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2/C1=C/c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H16ClN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3

InChI Key

LFZLFCBTYAENBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.9

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-6.42

Polar Surface Area

97.881

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-18.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8015-3173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3173?
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What is the minimum amount of 8015-3173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3173
  • 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 8015-3173 available by request