D003-1039 Screening compound: N-tert-butyl-1,2,3-benzothiadiazole-5-carboxamide

D003-1039 Screening compound: N-tert-butyl-1,2,3-benzothiadiazole-5-carboxamide
D003-1039 Screening compound: N-tert-butyl-1,2,3-benzothiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-1039
N-tert-butyl-1,2,3-benzothiadiazole-5-carboxamide

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

D003-1039

Molecular Formula

C11H13N3OS (C11 H13 N3 OS)

Compound Name

N-tert-butyl-1,2,3-benzothiadiazole-5-carboxamide

IUPAC name

N-tert-butyl-123-benzothiadiazole-5-carboxamide

SMILES

CC(C)(C)NC(c(cc1)cc2c1snn2)=O

InChI

InChI=1S/C11H13N3OS/c1-11(2,3)12-10(15)7-4-5-9-8(6-7)13-14-16-9/h4-6H,1-3H3,(H,12,15)

InChI Key

VSFAWXWITSRYHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.365

Distribution Coefficient, logD

2.365

Water Solubility, LogSw

-2.95

Polar Surface Area

45.329

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D003-1039 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D003-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-1039?
Check Price and Availability of D003-1039, 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 D003-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-1039
  • 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 D003-1039 available by request