2551-0140 Screening compound: 4-chloro-N~1~-[10-{[(4-chlorophenyl)sulfonyl]amino}tetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca-2(11),3,5,7,9,13-hexaen-3-yl]-1-benzenesulfonamide

2551-0140 Screening compound: 4-chloro-N~1~-[10-{[(4-chlorophenyl)sulfonyl]amino}tetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca-2(11),3,5,7,9,13-hexaen-3-yl]-1-benzenesulfonamide
2551-0140 Screening compound: 4-chloro-N~1~-[10-{[(4-chlorophenyl)sulfonyl]amino}tetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca-2(11),3,5,7,9,13-hexaen-3-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2551-0140
4-chloro-N~1~-[10-{[(4-chlorophenyl)sulfonyl]amino}tetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca-2(11),3,5,7,9,13-hexaen-3-yl]-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

2551-0140

Molecular Formula

C28H22Cl2N2O4S2 (C28 H22 Cl2 N2 O4 S2)

Compound Name

4-chloro-N~1~-[10-{[(4-chlorophenyl)sulfonyl]amino}tetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca-2(11),3,5,7,9,13-hexaen-3-yl]-1-benzenesulfonamide

IUPAC name

4-chloro-N-[10-(4-chlorobenzenesulfonamido)tetracyclo[10.2.2.0^{211}.0^{49}]hexadeca-2(11)357913-hexaen-3-yl]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Cl)(Nc(c1ccccc11)c(C2C=CC3CC2)c3c1NS(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C28H22Cl2N2O4S2/c29-19-9-13-21(14-10-19)37(33,34)31-27-23-3-1-2-4-24(23)28(26-18-7-5-17(6-8-18)25(26)27)32-38(35,36)22-15-11-20(30)12-16-22/h1-5,7,9-18,31-32H,6,8H2

InChI Key

AEVTUUVTXUBSTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.417

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-6.59

Polar Surface Area

78.316

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-9.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.29

2551-0140 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2551-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2551-0140?
Check Price and Availability of 2551-0140, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2551-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2551-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2551-0140
  • 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 2551-0140 available by request