C531-0499 Screening compound: 4-benzyl-1,3-dioxo-N~6~-propyl-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide

C531-0499 Screening compound: 4-benzyl-1,3-dioxo-N~6~-propyl-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
C531-0499 Screening compound: 4-benzyl-1,3-dioxo-N~6~-propyl-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C531-0499
4-benzyl-1,3-dioxo-N~6~-propyl-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide

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

C531-0499

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

4-benzyl-1,3-dioxo-N~6~-propyl-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide

IUPAC name

4-benzyl-13-dioxo-N-propyl-34-dihydro-2H-1lambda44-benzothiazine-6-carboxamide

SMILES

CCCNC(c(cc1)cc(N(Cc2ccccc2)C(C2)=O)c1S2=O)=O

InChI

InChI=1S/C19H22N2O3S/c1-2-10-20-19(23)15-8-9-17-16(11-15)21(18(22)13-25(17)24)12-14-6-4-3-5-7-14/h3-9,11H,2,10,12-13,25H2,1H3,(H,20,23)

InChI Key

BBDJKRSGIONEIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.149

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.87

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C531-0499 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C531-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C531-0499?
Check Price and Availability of C531-0499, 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 C531-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C531-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C531-0499
  • 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 C531-0499 available by request