4581-2633 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate

4581-2633 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate
4581-2633 Screening compound: (Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4581-2633
(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate

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

4581-2633

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate

IUPAC name

(Z)-[1-amino-2-(thiophen-2-yl)ethylidene]amino adamantane-1-carboxylate

SMILES

N/C(/Cc1cccs1)=N\OC(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C17H22N2O2S/c18-15(7-14-2-1-3-22-14)19-21-16(20)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,11-13H,4-10H2,(H2,18,19)

InChI Key

BJZVMTYRGOUGNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.35

Polar Surface Area

53.063

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

4581-2633 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4581-2633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4581-2633?
Check Price and Availability of 4581-2633, 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 4581-2633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4581-2633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4581-2633
  • 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 4581-2633 available by request