1127-1178 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate

1127-1178 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate
1127-1178 Screening compound: ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1127-1178
ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate

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

1127-1178

Molecular Formula

C17H12N4O7S (C17 H12 N4 O7 S)

Compound Name

ethyl 2-(3,5-dinitrobenzamido)-1,3-benzothiazole-6-carboxylate

IUPAC name

ethyl 2-(35-dinitrobenzamido)-13-benzothiazole-6-carboxylate

SMILES

CCOC(c(cc1)cc2c1nc(NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)s2)=O

InChI

InChI=1S/C17H12N4O7S/c1-2-28-16(23)9-3-4-13-14(7-9)29-17(18-13)19-15(22)10-5-11(20(24)25)8-12(6-10)21(26)27/h3-8H,2H2,1H3,(H,18,19,22)

InChI Key

VAWMFDLSUTUYOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00689557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.37

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.155

Water Solubility, LogSw

-4.32

Polar Surface Area

120.608

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1127-1178 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1127-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1127-1178?
Check Price and Availability of 1127-1178, 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 1127-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1127-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1127-1178
  • 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 1127-1178 available by request