5111-0351 Screening compound: 3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

5111-0351 Screening compound: 3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one
5111-0351 Screening compound: 3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0351
3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

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

5111-0351

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[(7Z)-3-(4-ethoxyphenyl)-6-oxo-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-7-ylidene]-57-dimethyl-23-dihydro-1H-indol-2-one

SMILES

CCOc(cc1)ccc1N(CN1C2=O)CN=C1S/C2=C(/c(cc(C)cc1C)c1N1)\C1=O

InChI

InChI=1S/C23H22N4O3S/c1-4-30-16-7-5-15(6-8-16)26-11-24-23-27(12-26)22(29)20(31-23)18-17-10-13(2)9-14(3)19(17)25-21(18)28/h5-10H,4,11-12H2,1-3H3,(H,25,28)

InChI Key

LAEOSNZHOZPBJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03680076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.28

Polar Surface Area

59.621

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 5111-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0351?
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What is the minimum amount of 5111-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0351
  • 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 5111-0351 available by request