5111-0232 Screening compound: 5-chloro-3-[(7Z)-3-(3,4-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

5111-0232 Screening compound: 5-chloro-3-[(7Z)-3-(3,4-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one
5111-0232 Screening compound: 5-chloro-3-[(7Z)-3-(3,4-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0232
5-chloro-3-[(7Z)-3-(3,4-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-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

5111-0232

Molecular Formula

C21H17ClN4O2S (C21 H17 ClN4 O2 S)

Compound Name

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

IUPAC name

5-chloro-3-[(7Z)-3-(34-dimethylphenyl)-6-oxo-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-7-ylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)c(C)cc1N(CN1C2=O)CN=C1S/C2=C(/c(cc(cc1)Cl)c1N1)\C1=O

InChI

InChI=1S/C21H17ClN4O2S/c1-11-3-5-14(7-12(11)2)25-9-23-21-26(10-25)20(28)18(29-21)17-15-8-13(22)4-6-16(15)24-19(17)27/h3-8H,9-10H2,1-2H3,(H,24,27)

InChI Key

DNEVECQAKKNPCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03673477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.79

Polar Surface Area

54.750

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 5111-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0232?
Check Price and Availability of 5111-0232, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5111-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0232
  • 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 5111-0232 available by request