2387-1647 Screening compound: 2-(diethylamino)ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate

2387-1647 Screening compound: 2-(diethylamino)ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate
2387-1647 Screening compound: 2-(diethylamino)ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2387-1647
2-(diethylamino)ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-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

2387-1647

Molecular Formula

C25H33N3O3S (C25 H33 N3 O3 S)

Compound Name

2-(diethylamino)ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate

IUPAC name

2-(diethylamino)ethyl 2-(adamantane-1-amido)-13-benzothiazole-6-carboxylate

SMILES

CCN(CC)CCOC(c(cc1)cc2c1nc(NC(C1(CC(C3)C4)CC4CC3C1)=O)s2)=O

InChI

InChI=1S/C25H33N3O3S/c1-3-28(4-2)7-8-31-22(29)19-5-6-20-21(12-19)32-24(26-20)27-23(30)25-13-16-9-17(14-25)11-18(10-16)15-25/h5-6,12,16-18H,3-4,7-11,13-15H2,1-2H3,(H,26,27,30)

InChI Key

YZPDUODANROFJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.492

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.64

Polar Surface Area

57.583

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

2387-1647 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2387-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2387-1647?
Check Price and Availability of 2387-1647, 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 2387-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2387-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2387-1647
  • 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 2387-1647 available by request