2387-1645 Screening compound: ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate

2387-1645 Screening compound: ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate
2387-1645 Screening compound: ethyl 2-(adamantane-1-amido)-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2387-1645
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

2387-1645

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-2-26-18(24)15-3-4-16-17(8-15)27-20(22-16)23-19(25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H,22,23,25)

InChI Key

CNYPLZYHBFXXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.173

Distribution Coefficient, logD

6.172

Water Solubility, LogSw

-5.55

Polar Surface Area

53.878

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

2387-1645 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 2387-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2387-1645?
Check Price and Availability of 2387-1645, 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 2387-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2387-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2387-1645
  • 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 2387-1645 available by request