F475-0357 Screening compound: 2-(2-ethyl-6-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate

F475-0357 Screening compound: 2-(2-ethyl-6-methylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
F475-0357 Screening compound: 2-(2-ethyl-6-methylanilino)-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 F475-0357
2-(2-ethyl-6-methylanilino)-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

F475-0357

Molecular Formula

C25H25N3O5S (C25 H25 N3 O5 S)

Compound Name

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

IUPAC name

[(2-ethyl-6-methylphenyl)carbamoyl]methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate

SMILES

CCc(cccc1C)c1NC(COC(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)=O)=O

InChI

InChI=1S/C25H25N3O5S/c1-3-17-8-6-7-16(2)23(17)27-22(29)15-33-25(30)19-13-11-18(12-14-19)24-26-20-9-4-5-10-21(20)34(31,32)28-24/h4-14,24,26,28H,3,15H2,1-2H3,(H,27,29)/t24-/m0/s1

InChI Key

ISWNMARPRNGLJH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD11997198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.655

Water Solubility, LogSw

-3.72

Polar Surface Area

94.712

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

F475-0357 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F475-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F475-0357?
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What is the minimum amount of F475-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F475-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F475-0357
  • 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 F475-0357 available by request