1987-0010 Screening compound: 2,1,3-benzothiadiazol-4-yl acetate

1987-0010 Screening compound: 2,1,3-benzothiadiazol-4-yl acetate
1987-0010 Screening compound: 2,1,3-benzothiadiazol-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1987-0010
2,1,3-benzothiadiazol-4-yl acetate

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

1987-0010

Molecular Formula

C8H6N2O2S (C8 H6 N2 O2 S)

Compound Name

2,1,3-benzothiadiazol-4-yl acetate

IUPAC name

213-benzothiadiazol-4-yl acetate

SMILES

CC(Oc1cccc2nsnc12)=O

InChI

InChI=1S/C8H6N2O2S/c1-5(11)12-7-4-2-3-6-8(7)10-13-9-6/h2-4H,1H3

InChI Key

CTBOBKQTPHUAAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01365550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.15

Polar Surface Area

42.029

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1987-0010 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1987-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1987-0010?
Check Price and Availability of 1987-0010, 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 1987-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1987-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1987-0010
  • 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 1987-0010 available by request