4456-1138 Screening compound: 2-chloro-N~1~-(4-chloro-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-5-nitro-1-benzenesulfonamide

4456-1138 Screening compound: 2-chloro-N~1~-(4-chloro-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-5-nitro-1-benzenesulfonamide
4456-1138 Screening compound: 2-chloro-N~1~-(4-chloro-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-5-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-1138
2-chloro-N~1~-(4-chloro-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-5-nitro-1-benzenesulfonamide

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

4456-1138

Molecular Formula

C18H12Cl2N2O6S (C18 H12 Cl2 N2 O6 S)

Compound Name

2-chloro-N~1~-(4-chloro-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-5-nitro-1-benzenesulfonamide

IUPAC name

2-chloro-N-{6-chloro-13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}-5-nitrobenzene-1-sulfonamide

SMILES

[O-][N+](c(cc1)cc(S(Nc(cc23)cc(Cl)c2oc(CCC2)c3C2=O)(=O)=O)c1Cl)=O

InChI

InChI=1S/C18H12Cl2N2O6S/c19-12-5-4-10(22(24)25)8-16(12)29(26,27)21-9-6-11-17-14(23)2-1-3-15(17)28-18(11)13(20)7-9/h4-8,21H,1-3H2

InChI Key

MGWWICZWBNUHGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02344889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-4.85

Polar Surface Area

95.866

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

-15.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4456-1138 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4456-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-1138?
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What is the minimum amount of 4456-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-1138
  • 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 4456-1138 available by request