4676-0441 Screening compound: N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

4676-0441 Screening compound: N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
4676-0441 Screening compound: N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0441
N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-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

4676-0441

Molecular Formula

C17H12F4N2O2S (C17 H12 F4 N2 O2 S)

Compound Name

N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide

IUPAC name

N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-34-dihydro-2H-14-benzothiazin-2-yl]acetamide

SMILES

O=C(CC1Sc(ccc(C(F)(F)F)c2)c2NC1=O)Nc(cc1)ccc1F

InChI

InChI=1S/C17H12F4N2O2S/c18-10-2-4-11(5-3-10)22-15(24)8-14-16(25)23-12-7-9(17(19,20)21)1-6-13(12)26-14/h1-7,14H,8H2,(H,22,24)(H,23,25)/t14-/m0/s1

InChI Key

AEGAQTVYWALGOU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01163321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.28

Polar Surface Area

47.994

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

4676-0441 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4676-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0441?
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What is the minimum amount of 4676-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0441
  • 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 4676-0441 available by request