F475-0346 Screening compound: 2-(3-acetylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0346 Screening compound: 2-(3-acetylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0346 Screening compound: 2-(3-acetylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F475-0346
2-(3-acetylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

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

F475-0346

Molecular Formula

C24H21N3O6S (C24 H21 N3 O6 S)

Compound Name

2-(3-acetylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

IUPAC name

[(3-acetylphenyl)carbamoyl]methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate

SMILES

CC(c1cccc(NC(COC(c2ccc(C(Nc3c4cccc3)NS4(=O)=O)cc2)=O)=O)c1)=O

InChI

InChI=1S/C24H21N3O6S/c1-15(28)18-5-4-6-19(13-18)25-22(29)14-33-24(30)17-11-9-16(10-12-17)23-26-20-7-2-3-8-21(20)34(31,32)27-23/h2-13,23,26-27H,14H2,1H3,(H,25,29)/t23-/m0/s1

InChI Key

YDGGIPURKGRVAF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14955877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.32

Polar Surface Area

109.934

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

F475-0346 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F475-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0346?
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What is the minimum amount of F475-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0346
  • 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 F475-0346 available by request