D003-0053 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea

D003-0053 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea
D003-0053 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0053
3-(1,2,3-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea

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

D003-0053

Molecular Formula

C12H10N4O2S (C12 H10 N4 O2 S)

Compound Name

3-(1,2,3-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea

IUPAC name

3-(123-benzothiadiazol-5-yl)-1-[(furan-2-yl)methyl]urea

SMILES

O=C(NCc1ccco1)Nc(cc1)cc2c1snn2

InChI

InChI=1S/C12H10N4O2S/c17-12(13-7-9-2-1-5-18-9)14-8-3-4-11-10(6-8)15-16-19-11/h1-6H,7H2,(H2,13,14,17)

InChI Key

CWWUYVJLBVIRMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03232266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.08

Polar Surface Area

63.194

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D003-0053 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D003-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0053?
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What is the minimum amount of D003-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0053
  • 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 D003-0053 available by request