D082-0550 Screening compound: ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate

D082-0550 Screening compound: ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate
D082-0550 Screening compound: ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0550
ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate

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

D082-0550

Molecular Formula

C25H22N4O6S (C25 H22 N4 O6 S)

Compound Name

ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate

IUPAC name

ethyl 4-{3-[(4-methoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-2-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(SC1=NC(C)=C2)=C(C(Nc(cc3)ccc3OC)=O)N1C2=O)=O)=O

InChI

InChI=1S/C25H22N4O6S/c1-4-35-24(33)15-5-7-16(8-6-15)28-23(32)21-20(29-19(30)13-14(2)26-25(29)36-21)22(31)27-17-9-11-18(34-3)12-10-17/h5-13H,4H2,1-3H3,(H,27,31)(H,28,32)

InChI Key

PMWFJFQZEHERGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.75

Polar Surface Area

100.555

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with D082-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0550?
Check Price and Availability of D082-0550, 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 D082-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0550
  • 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 D082-0550 available by request