8019-3966 Screening compound: 2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(1,3-thiazol-2-yl)benzamide

8019-3966 Screening compound: 2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(1,3-thiazol-2-yl)benzamide
8019-3966 Screening compound: 2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(1,3-thiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3966
2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(1,3-thiazol-2-yl)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

8019-3966

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(1,3-thiazol-2-yl)benzamide

IUPAC name

2-{[(adamantan-1-yl)carbamoyl]methoxy}-N-(13-thiazol-2-yl)benzamide

SMILES

O=C(COc(cccc1)c1C(Nc1nccs1)=O)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C22H25N3O3S/c26-19(25-22-10-14-7-15(11-22)9-16(8-14)12-22)13-28-18-4-2-1-3-17(18)20(27)24-21-23-5-6-29-21/h1-6,14-16H,7-13H2,(H,25,26)(H,23,24,27)

InChI Key

BRFMLNLESVQPSL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.41

Polar Surface Area

65.289

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8019-3966 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-3966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3966?
Check Price and Availability of 8019-3966, 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 8019-3966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3966
  • 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 8019-3966 available by request