1523-5802 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

1523-5802 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide
1523-5802 Screening compound: 4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1523-5802
4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

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

1523-5802

Molecular Formula

C22H23Cl2N5O6S2 (C22 H23 Cl2 N5 O6 S2)

Compound Name

4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

4-[bis(2-chloroethyl)sulfamoyl]-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}benzamide

SMILES

COc1nccnc1NS(c(cc1)ccc1NC(c(cc1)ccc1S(N(CCCl)CCCl)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C22H23Cl2N5O6S2/c1-35-22-20(25-12-13-26-22)28-36(31,32)18-8-4-17(5-9-18)27-21(30)16-2-6-19(7-3-16)37(33,34)29(14-10-23)15-11-24/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,28)(H,27,30)

InChI Key

GKHZJQLRKJTTCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-3.74

Polar Surface Area

122.620

Acid Dissociation Constant (pKa)

5.91

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

1523-5802 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1523-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1523-5802?
Check Price and Availability of 1523-5802, 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 1523-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1523-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1523-5802
  • 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 1523-5802 available by request