8015-8245 Screening compound: N~1~-{4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1-adamantanecarboxamide

8015-8245 Screening compound: N~1~-{4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1-adamantanecarboxamide
8015-8245 Screening compound: N~1~-{4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8245
N~1~-{4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1-adamantanecarboxamide

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

8015-8245

Molecular Formula

C20H21ClN4O3 (C20 H21 ClN4 O3)

Compound Name

N~1~-{4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl}-1-adamantanecarboxamide

IUPAC name

N-[4-(2-chlorobenzamido)-125-oxadiazol-3-yl]adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc1nonc1NC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C20H21ClN4O3/c21-15-4-2-1-3-14(15)18(26)22-16-17(25-28-24-16)23-19(27)20-8-11-5-12(9-20)7-13(6-11)10-20/h1-4,11-13H,5-10H2,(H,22,24,26)(H,23,25,27)

InChI Key

RSRHFKNHISHRPU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

0.790

Water Solubility, LogSw

-5.05

Polar Surface Area

83.352

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

-6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8015-8245 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 8015-8245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8245?
Check Price and Availability of 8015-8245, 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 8015-8245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8245
  • 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 8015-8245 available by request