D003-1035 Screening compound: ethyl 2-[4-(1,2,3-benzothiadiazole-5-amido)phenyl]acetate

D003-1035 Screening compound: ethyl 2-[4-(1,2,3-benzothiadiazole-5-amido)phenyl]acetate
D003-1035 Screening compound: ethyl 2-[4-(1,2,3-benzothiadiazole-5-amido)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-1035
ethyl 2-[4-(1,2,3-benzothiadiazole-5-amido)phenyl]acetate

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

D003-1035

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

ethyl 2-[4-(1,2,3-benzothiadiazole-5-amido)phenyl]acetate

IUPAC name

ethyl 2-[4-(123-benzothiadiazole-5-amido)phenyl]acetate

SMILES

CCOC(Cc(cc1)ccc1NC(c(cc1)cc2c1snn2)=O)=O

InChI

InChI=1S/C17H15N3O3S/c1-2-23-16(21)9-11-3-6-13(7-4-11)18-17(22)12-5-8-15-14(10-12)19-20-24-15/h3-8,10H,2,9H2,1H3,(H,18,22)

InChI Key

DAMJTZYYPPCHEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.47

Polar Surface Area

65.070

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D003-1035 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D003-1035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-1035?
Check Price and Availability of D003-1035, 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 D003-1035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-1035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-1035
  • 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 D003-1035 available by request