8017-8121 Screening compound: 1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-((Z)-1-{5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-1,2-dihydro-3H-indole

8017-8121 Screening compound: 1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-((Z)-1-{5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-1,2-dihydro-3H-indole
8017-8121 Screening compound: 1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-((Z)-1-{5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-1,2-dihydro-3H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8121
1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-((Z)-1-{5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-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

8017-8121

Molecular Formula

C24H18N6O9S (C24 H18 N6 O9 S)

Compound Name

1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-((Z)-1-{5-[(3-nitro-1H-pyrazol-1-yl)methyl]-2-furyl}methylidene)-1,2-dihydro-3H-indole

IUPAC name

(3Z)-1-(4-methylbenzenesulfonyl)-46-dinitro-3-({5-[(3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-23-dihydro-1H-indole

SMILES

Cc(cc1)ccc1S(N(C/C1=C\c2ccc(Cn(cc3)nc3[N+]([O-])=O)o2)c2c1c([N+]([O-])=O)cc([N+]([O-])=O)c2)(=O)=O

InChI

InChI=1S/C24H18N6O9S/c1-15-2-6-20(7-3-15)40(37,38)27-13-16(24-21(27)11-17(28(31)32)12-22(24)29(33)34)10-18-4-5-19(39-18)14-26-9-8-23(25-26)30(35)36/h2-12H,13-14H2,1H3

InChI Key

SZVFIYXLDZAQDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.51

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

4.081

Distribution Coefficient, logD

4.081

Water Solubility, LogSw

-4.46

Polar Surface Area

152.126

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8017-8121 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-8121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8121
  • 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 8017-8121 available by request