K233-0904 Screening compound: ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carbonyl}piperazine-1-carboxylate

K233-0904 Screening compound: ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carbonyl}piperazine-1-carboxylate
K233-0904 Screening compound: ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0904
ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carbonyl}piperazine-1-carboxylate

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

K233-0904

Molecular Formula

C22H25N5O5S2 (C22 H25 N5 O5 S2)

Compound Name

ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-8-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{5-oxo-3-[(propan-2-yl)carbamoyl]-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-8-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(N(C(N2)=C(C(NC(C)C)=O)S3)C3=S)c1C2=O)=O)=O

InChI

InChI=1S/C22H25N5O5S2/c1-4-32-21(31)26-9-7-25(8-10-26)20(30)13-5-6-14-15(11-13)27-17(24-18(14)28)16(34-22(27)33)19(29)23-12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,29)(H,24,28)

InChI Key

IDOOSYSKTVZLGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.422

Distribution Coefficient, logD

1.422

Water Solubility, LogSw

-2.71

Polar Surface Area

90.064

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K233-0904 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K233-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0904?
Check Price and Availability of K233-0904, 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 K233-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0904
  • 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 K233-0904 available by request