0121-0093 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate

0121-0093 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate
0121-0093 Screening compound: 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0121-0093
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate

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

0121-0093

Molecular Formula

C19H10Cl4N2O6S (C19 H10 Cl4 N2 O6 S)

Compound Name

4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 34-dichlorobenzene-1-sulfonate

SMILES

[O-][N+](c(cc1)cc(Cl)c1NC(c(cc(cc1)Cl)c1OS(c(cc1)cc(Cl)c1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C19H10Cl4N2O6S/c20-10-1-6-18(31-32(29,30)12-3-4-14(21)15(22)9-12)13(7-10)19(26)24-17-5-2-11(25(27)28)8-16(17)23/h1-9H,(H,24,26)

InChI Key

VVXNRVWJSOMAKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.18

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-6.42

Polar Surface Area

91.861

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

-7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0121-0093 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0121-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0121-0093?
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What is the minimum amount of 0121-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0121-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0121-0093
  • 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 0121-0093 available by request