3455-1241 Screening compound: 6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylic acid

3455-1241 Screening compound: 6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylic acid
3455-1241 Screening compound: 6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-1241
6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylic 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

3455-1241

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylic acid

IUPAC name

n/a

SMILES

CCC(C)(Cc1c2cccc1)C(C(N1C3)=O)=C2N=C1SC3C(O)=O

InChI

InChI=1S/C18H18N2O3S/c1-3-18(2)8-10-6-4-5-7-11(10)14-13(18)15(21)20-9-12(16(22)23)24-17(20)19-14/h4-7,12H,3,8-9H2,1-2H3,(H,22,23)

InChI Key

VDAPNVZXLUHNHH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

0.773

Water Solubility, LogSw

-3.18

Polar Surface Area

54.556

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3455-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-1241?
Check Price and Availability of 3455-1241, 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 3455-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-1241
  • 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 3455-1241 available by request