E953-0341 Screening compound: 1-(4-fluorobenzyl)-3-{(Z)-1-[(3-pyridylmethyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

E953-0341 Screening compound: 1-(4-fluorobenzyl)-3-{(Z)-1-[(3-pyridylmethyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione
E953-0341 Screening compound: 1-(4-fluorobenzyl)-3-{(Z)-1-[(3-pyridylmethyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound E953-0341
1-(4-fluorobenzyl)-3-{(Z)-1-[(3-pyridylmethyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

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

E953-0341

Molecular Formula

C20H16FN3O3S2 (C20 H16 FN3 O3 S2)

Compound Name

1-(4-fluorobenzyl)-3-{(Z)-1-[(3-pyridylmethyl)amino]methylidene}-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4(1H)-trione

IUPAC name

(3Z)-1-[(4-fluorophenyl)methyl]-3-({[(pyridin-3-yl)methyl]amino}methylidene)-1H3H4H-2lambda6-thieno[32-c][12]thiazine-224-trione

SMILES

O=C(c(scc1)c1N(Cc(cc1)ccc1F)S1(=O)=O)/C1=C/NCc1cnccc1

InChI

InChI=1S/C20H16FN3O3S2/c21-16-5-3-14(4-6-16)13-24-17-7-9-28-20(17)19(25)18(29(24,26)27)12-23-11-15-2-1-8-22-10-15/h1-10,12,23H,11,13H2

InChI Key

BDXNESFZKSNAPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.14

Polar Surface Area

67.577

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with E953-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E953-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E953-0341
  • 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 E953-0341 available by request