6173-0271 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzene-1,3-dicarboxylate

6173-0271 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzene-1,3-dicarboxylate
6173-0271 Screening compound: 1,3-dimethyl 5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6173-0271
1,3-dimethyl 5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]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

6173-0271

Molecular Formula

C20H18N2O6S (C20 H18 N2 O6 S)

Compound Name

1,3-dimethyl 5-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamido]benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-[2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamido]benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CC2Sc(cccc3)c3NC2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C20H18N2O6S/c1-27-19(25)11-7-12(20(26)28-2)9-13(8-11)21-17(23)10-16-18(24)22-14-5-3-4-6-15(14)29-16/h3-9,16H,10H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1

InChI Key

CAQZNWWQKPNNST-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03821450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.39

Polar Surface Area

90.342

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6173-0271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6173-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6173-0271?
Check Price and Availability of 6173-0271, 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 6173-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6173-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6173-0271
  • 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 6173-0271 available by request