8013-1566 Screening compound: 3-{[2-(adamantan-1-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide

8013-1566 Screening compound: 3-{[2-(adamantan-1-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide
8013-1566 Screening compound: 3-{[2-(adamantan-1-yl)ethyl]sulfamoyl}-N-(3-nitrophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1566
3-{[2-(adamantan-1-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

8013-1566

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(NC(c2cccc(S(NCCC3(CC(C4)C5)CC5CC4C3)(=O)=O)c2)=O)c1)=O

InChI

InChI=1S/C25H29N3O5S/c29-24(27-21-4-2-5-22(13-21)28(30)31)20-3-1-6-23(12-20)34(32,33)26-8-7-25-14-17-9-18(15-25)11-19(10-17)16-25/h1-6,12-13,17-19,26H,7-11,14-16H2,(H,27,29)

InChI Key

LINFBAOBSWGIKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

5.541

Water Solubility, LogSw

-5.91

Polar Surface Area

98.344

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

8013-1566 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • 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 8013-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1566?
Check Price and Availability of 8013-1566, 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 8013-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1566
  • 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 8013-1566 available by request