D003-1095 Screening compound: 1,3-dimethyl 5-{[(1,2,3-benzothiadiazol-5-yl)carbamoyl]amino}benzene-1,3-dicarboxylate

D003-1095 Screening compound: 1,3-dimethyl 5-{[(1,2,3-benzothiadiazol-5-yl)carbamoyl]amino}benzene-1,3-dicarboxylate
D003-1095 Screening compound: 1,3-dimethyl 5-{[(1,2,3-benzothiadiazol-5-yl)carbamoyl]amino}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-1095
1,3-dimethyl 5-{[(1,2,3-benzothiadiazol-5-yl)carbamoyl]amino}benzene-1,3-dicarboxylate

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

D003-1095

Molecular Formula

C17H14N4O5S (C17 H14 N4 O5 S)

Compound Name

1,3-dimethyl 5-{[(1,2,3-benzothiadiazol-5-yl)carbamoyl]amino}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{[(123-benzothiadiazol-5-yl)carbamoyl]amino}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(Nc(cc2)cc3c2snn3)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C17H14N4O5S/c1-25-15(22)9-5-10(16(23)26-2)7-12(6-9)19-17(24)18-11-3-4-14-13(8-11)20-21-27-14/h3-8H,1-2H3,(H2,18,19,24)

InChI Key

OJDCIZSXESJWEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.40

Polar Surface Area

96.471

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D003-1095 in Drug Discovery

Included in Screening Libraries

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 D003-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-1095?
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What is the minimum amount of D003-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-1095
  • 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 D003-1095 available by request