8012-4641 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

8012-4641 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
8012-4641 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4641
N-[2-(adamantan-1-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

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

8012-4641

Molecular Formula

C18H23N3O3S2 (C18 H23 N3 O3 S2)

Compound Name

N-[2-(adamantan-1-yloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-213-benzothiadiazole-4-sulfonamide

SMILES

O=S(c1cccc2nsnc12)(NCCOC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C18H23N3O3S2/c22-26(23,16-3-1-2-15-17(16)21-25-20-15)19-4-5-24-18-9-12-6-13(10-18)8-14(7-12)11-18/h1-3,12-14,19H,4-11H2

InChI Key

ZRXAPLLMGHKBJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.32

Polar Surface Area

69.052

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8012-4641 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4641?
Check Price and Availability of 8012-4641, 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 8012-4641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4641
  • 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 8012-4641 available by request