8013-1563 Screening compound: 3-{[(adamantan-1-yl)methyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

8013-1563 Screening compound: 3-{[(adamantan-1-yl)methyl]sulfamoyl}-N-(3-nitrophenyl)benzamide
8013-1563 Screening compound: 3-{[(adamantan-1-yl)methyl]sulfamoyl}-N-(3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1563
3-{[(adamantan-1-yl)methyl]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

8013-1563

Molecular Formula

C24H27N3O5S (C24 H27 N3 O5 S)

Compound Name

3-{[(adamantan-1-yl)methyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

IUPAC name

3-{[(adamantan-1-yl)methyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

SMILES

[O-][N+](c1cccc(NC(c2cccc(S(NCC3(CC(C4)C5)CC5CC4C3)(=O)=O)c2)=O)c1)=O

InChI

InChI=1S/C24H27N3O5S/c28-23(26-20-4-2-5-21(11-20)27(29)30)19-3-1-6-22(10-19)33(31,32)25-15-24-12-16-7-17(13-24)9-18(8-16)14-24/h1-6,10-11,16-18,25H,7-9,12-15H2,(H,26,28)

InChI Key

JWQDNDRRSKVCMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.413

Distribution Coefficient, logD

5.301

Water Solubility, LogSw

-5.85

Polar Surface Area

98.503

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

8013-1563 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1563?
Check Price and Availability of 8013-1563, 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 8013-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1563
  • 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 8013-1563 available by request