D358-0666 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl}piperazine-1-carboxylate

D358-0666 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl}piperazine-1-carboxylate
D358-0666 Screening compound: ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0666
ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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

D358-0666

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

ethyl 4-{5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{5-oxo-3-phenyl-5H-[13]thiazolo[32-a]pyrimidine-6-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C1=CN=C2SC=C(c3ccccc3)N2C1=O)=O)=O

InChI

InChI=1S/C20H20N4O4S/c1-2-28-20(27)23-10-8-22(9-11-23)17(25)15-12-21-19-24(18(15)26)16(13-29-19)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3

InChI Key

RBQLNBQYKKSAQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05021274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.18

Polar Surface Area

64.673

Acid Dissociation Constant (pKa)

29.30

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D358-0666 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D358-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0666?
Check Price and Availability of D358-0666, 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 D358-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0666
  • 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 D358-0666 available by request