1611-0316 Screening compound: N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide

1611-0316 Screening compound: N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide
1611-0316 Screening compound: N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0316
N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide

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

1611-0316

Molecular Formula

C21H15F3N4O7S2 (C21 H15 F3 N4 O7 S2)

Compound Name

N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide

IUPAC name

N-[4-({2-nitro-5-[(4-nitrophenyl)sulfanyl]-4-trifluoromethanesulfonylphenyl}amino)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1Nc(c([N+]([O-])=O)c1)cc(Sc(cc2)ccc2[N+]([O-])=O)c1S(C(F)(F)F)(=O)=O)=O

InChI

InChI=1S/C21H15F3N4O7S2/c1-12(29)25-13-2-4-14(5-3-13)26-17-10-19(36-16-8-6-15(7-9-16)27(30)31)20(11-18(17)28(32)33)37(34,35)21(22,23)24/h2-11,26H,1H3,(H,25,29)

InChI Key

DSKNPHUTOBGZIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00523751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.5

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.124

Water Solubility, LogSw

-5.55

Polar Surface Area

127.678

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

1611-0316 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1611-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0316?
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What is the minimum amount of 1611-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0316
  • 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 1611-0316 available by request