6653-3691 Screening compound: (E)-[amino(4-amino-1,2,5-thiadiazol-3-yl)methylidene]amino 2,1,3-benzothiadiazole-5-carboxylate

6653-3691 Screening compound: (E)-[amino(4-amino-1,2,5-thiadiazol-3-yl)methylidene]amino 2,1,3-benzothiadiazole-5-carboxylate
6653-3691 Screening compound: (E)-[amino(4-amino-1,2,5-thiadiazol-3-yl)methylidene]amino 2,1,3-benzothiadiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6653-3691
(E)-[amino(4-amino-1,2,5-thiadiazol-3-yl)methylidene]amino 2,1,3-benzothiadiazole-5-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

6653-3691

Molecular Formula

C10H7N7O2S2 (C10 H7 N7 O2 S2)

Compound Name

(E)-[amino(4-amino-1,2,5-thiadiazol-3-yl)methylidene]amino 2,1,3-benzothiadiazole-5-carboxylate

IUPAC name

(E)-[amino(4-amino-125-thiadiazol-3-yl)methylidene]amino 213-benzothiadiazole-5-carboxylate

SMILES

N/C(/c1nsnc1N)=N/OC(c1cc2nsnc2cc1)=O

InChI

InChI=1S/C10H7N7O2S2/c11-8(7-9(12)17-21-16-7)13-19-10(18)4-1-2-5-6(3-4)15-20-14-5/h1-3H,(H2,11,13)(H2,12,17)

InChI Key

WNPAKMIUPPYSDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.037

Distribution Coefficient, logD

1.037

Water Solubility, LogSw

-2.14

Polar Surface Area

114.240

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6653-3691 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6653-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6653-3691?
Check Price and Availability of 6653-3691, 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 6653-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6653-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6653-3691
  • 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 6653-3691 available by request