3888-1176 Screening compound: N-(4-hydroxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

3888-1176 Screening compound: N-(4-hydroxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
3888-1176 Screening compound: N-(4-hydroxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-1176
N-(4-hydroxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

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

3888-1176

Molecular Formula

C16H14N2O3S (C16 H14 N2 O3 S)

Compound Name

N-(4-hydroxyphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

IUPAC name

N-(4-hydroxyphenyl)-2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamide

SMILES

Oc(cc1)ccc1NC(CC1Sc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C16H14N2O3S/c19-11-7-5-10(6-8-11)17-15(20)9-14-16(21)18-12-3-1-2-4-13(12)22-14/h1-8,14,19H,9H2,(H,17,20)(H,18,21)/t14-/m0/s1

InChI Key

RSAWHKCUDFOVRB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02216363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.71

Polar Surface Area

65.611

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

3888-1176 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3888-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-1176?
Check Price and Availability of 3888-1176, 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 3888-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-1176
  • 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 3888-1176 available by request