C200-9640 Screening compound: 4-amino-3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-5-isothiazolecarboxylic acid

C200-9640 Screening compound: 4-amino-3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-5-isothiazolecarboxylic acid
C200-9640 Screening compound: 4-amino-3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-5-isothiazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9640
4-amino-3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-5-isothiazolecarboxylic acid

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

C200-9640

Molecular Formula

C13H11N3O5S (C13 H11 N3 O5 S)

Compound Name

4-amino-3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-5-isothiazolecarboxylic acid

IUPAC name

n/a

SMILES

Nc1c(C(O)=O)snc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C13H11N3O5S/c14-9-10(16-22-11(9)13(18)19)12(17)15-4-6-1-2-7-8(3-6)21-5-20-7/h1-3H,4-5,14H2,(H,15,17)(H,18,19)

InChI Key

UYLKCDSJZUNVDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.808

Distribution Coefficient, logD

-4.908

Water Solubility, LogSw

-2.19

Polar Surface Area

100.823

Acid Dissociation Constant (pKa)

1.68

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C200-9640 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C200-9640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9640?
Check Price and Availability of C200-9640, 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 C200-9640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9640
  • 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 C200-9640 available by request