E953-0385 Screening compound: N~2~-[4-({[1-(4-fluorobenzyl)-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-yliden]methyl}amino)phenyl]-2-furamide

E953-0385 Screening compound: N~2~-[4-({[1-(4-fluorobenzyl)-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-yliden]methyl}amino)phenyl]-2-furamide
E953-0385 Screening compound: N~2~-[4-({[1-(4-fluorobenzyl)-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-yliden]methyl}amino)phenyl]-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0385
N~2~-[4-({[1-(4-fluorobenzyl)-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-yliden]methyl}amino)phenyl]-2-furamide

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

E953-0385

Molecular Formula

C25H18FN3O5S2 (C25 H18 FN3 O5 S2)

Compound Name

N~2~-[4-({[1-(4-fluorobenzyl)-2,2,4-trioxo-1,4-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazin-3(2H)-yliden]methyl}amino)phenyl]-2-furamide

IUPAC name

N-[4-({[(3Z)-1-[(4-fluorophenyl)methyl]-224-trioxo-1H3H4H-2lambda6-thieno[32-c][12]thiazin-3-ylidene]methyl}amino)phenyl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc(cc1)ccc1N/C=C(/C(c(scc1)c1N1Cc(cc2)ccc2F)=O)\S1(=O)=O

InChI

InChI=1S/C25H18FN3O5S2/c26-17-5-3-16(4-6-17)15-29-20-11-13-35-24(20)23(30)22(36(29,32)33)14-27-18-7-9-19(10-8-18)28-25(31)21-2-1-12-34-21/h1-14,27H,15H2,(H,28,31)

InChI Key

UFMJYZOXJIFQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.34

Polar Surface Area

88.197

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

References: we are preparing a list of scientific research reports with E953-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E953-0385?
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What is the minimum amount of E953-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0385
  • 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 E953-0385 available by request