C301-0501 Screening compound: 1-(2,1,3-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea

C301-0501 Screening compound: 1-(2,1,3-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea
C301-0501 Screening compound: 1-(2,1,3-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0501
1-(2,1,3-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea

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

C301-0501

Molecular Formula

C12H14N4OS2 (C12 H14 N4 OS2)

Compound Name

1-(2,1,3-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea

IUPAC name

1-(213-benzothiadiazol-4-yl)-3-(3-methylbutanoyl)thiourea

SMILES

CC(C)CC(NC(Nc1cccc2nsnc12)=S)=O

InChI

InChI=1S/C12H14N4OS2/c1-7(2)6-10(17)14-12(18)13-8-4-3-5-9-11(8)16-19-15-9/h3-5,7H,6H2,1-2H3,(H2,13,14,17,18)

InChI Key

UOUUBWCGJLOSMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.31

Polar Surface Area

53.553

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-0501 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0501?
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What is the minimum amount of C301-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0501
  • 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 C301-0501 available by request