7681-0150 Screening compound: 3-{7-[(3Z)-5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl}benzoic acid

7681-0150 Screening compound: 3-{7-[(3Z)-5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl}benzoic acid
7681-0150 Screening compound: 3-{7-[(3Z)-5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7681-0150
3-{7-[(3Z)-5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl}benzoic acid

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

7681-0150

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

3-{7-[(3Z)-5,7-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl}benzoic acid

IUPAC name

3-{7-[(3Z)-57-dimethyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-6-oxo-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-3-yl}benzoic acid

SMILES

Cc(cc1C)cc(/C2=C(\C(N3C4)=O)/SC3=NCN4c3cc(C(O)=O)ccc3)c1NC2=O

InChI

InChI=1S/C22H18N4O4S/c1-11-6-12(2)17-15(7-11)16(19(27)24-17)18-20(28)26-10-25(9-23-22(26)31-18)14-5-3-4-13(8-14)21(29)30/h3-8H,9-10H2,1-2H3,(H,24,27)(H,29,30)

InChI Key

ZCTAWZIJKOIISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08673746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-3.91

Polar Surface Area

80.906

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 7681-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7681-0150?
Check Price and Availability of 7681-0150, 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 7681-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7681-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7681-0150
  • 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 7681-0150 available by request