1611-0311 Screening compound: 2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline

1611-0311 Screening compound: 2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline
1611-0311 Screening compound: 2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0311
2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline

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

1611-0311

Molecular Formula

C38H24F6N4O12S3 (C38 H24 F6 N4 O12 S3)

Compound Name

2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline

IUPAC name

2-nitro-5-(4-{4-[4-nitro-5-(phenylamino)-2-trifluoromethanesulfonylphenoxy]benzenesulfonyl}phenoxy)-N-phenyl-4-trifluoromethanesulfonylaniline

SMILES

[O-][N+](c(c(Nc1ccccc1)c1)cc(S(C(F)(F)F)(=O)=O)c1Oc(cc1)ccc1S(c(cc1)ccc1Oc(cc(c([N+]([O-])=O)c1)Nc2ccccc2)c1S(C(F)(F)F)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C38H24F6N4O12S3/c39-37(40,41)62(55,56)35-21-31(47(49)50)29(45-23-7-3-1-4-8-23)19-33(35)59-25-11-15-27(16-12-25)61(53,54)28-17-13-26(14-18-28)60-34-20-30(46-24-9-5-2-6-10-24)32(48(51)52)22-36(34)63(57,58)38(42,43)44/h1-22,45-46H

InChI Key

PIYNJXAPHRUDFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00523747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

938.82

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

11.444

Distribution Coefficient, logD

11.444

Water Solubility, LogSw

-6.32

Polar Surface Area

185.543

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

-8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 1611-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0311?
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What is the minimum amount of 1611-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0311
  • 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 1611-0311 available by request