8012-7741 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

8012-7741 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
8012-7741 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7741
N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

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

8012-7741

Molecular Formula

C22H29N3O2S (C22 H29 N3 O2 S)

Compound Name

N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-(adamantan-1-yl)ethyl]-2-[(5-methoxy-1H-13-benzodiazol-2-yl)sulfanyl]acetamide

SMILES

COc(cc1)cc2c1[nH]c(SCC(NCCC1(CC(C3)C4)CC4CC3C1)=O)n2

InChI

InChI=1S/C22H29N3O2S/c1-27-17-2-3-18-19(9-17)25-21(24-18)28-13-20(26)23-5-4-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,23,26)(H,24,25)

InChI Key

DBKFRYUITLSVIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.31

Polar Surface Area

49.870

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

8012-7741 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-7741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7741?
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What is the minimum amount of 8012-7741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7741
  • 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 8012-7741 available by request