8013-1572 Screening compound: 3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

8013-1572 Screening compound: 3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide
8013-1572 Screening compound: 3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1572
3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)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

8013-1572

Molecular Formula

C24H22N4O5S (C24 H22 N4 O5 S)

Compound Name

3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

IUPAC name

3-{[2-(2-methyl-1H-indol-3-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

SMILES

Cc1c(CCNS(c2cc(C(Nc3cc([N+]([O-])=O)ccc3)=O)ccc2)(=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C24H22N4O5S/c1-16-21(22-10-2-3-11-23(22)26-16)12-13-25-34(32,33)20-9-4-6-17(14-20)24(29)27-18-7-5-8-19(15-18)28(30)31/h2-11,14-15,25-26H,12-13H2,1H3,(H,27,29)

InChI Key

UGYFZGMQHPGRQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

4.350

Water Solubility, LogSw

-4.44

Polar Surface Area

108.237

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-1572 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-1572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1572?
Check Price and Availability of 8013-1572, 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 8013-1572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1572
  • 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 8013-1572 available by request