D082-0562 Screening compound: ethyl 4-{3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate

D082-0562 Screening compound: ethyl 4-{3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate
D082-0562 Screening compound: ethyl 4-{3-[(2,3-dimethylphenyl)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 D082-0562
ethyl 4-{3-[(2,3-dimethylphenyl)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

D082-0562

Molecular Formula

C26H24N4O5S (C26 H24 N4 O5 S)

Compound Name

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

IUPAC name

ethyl 4-{3-[(23-dimethylphenyl)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(Nc3c(C)c(C)ccc3)=O)N1C2=O)=O)=O

InChI

InChI=1S/C26H24N4O5S/c1-5-35-25(34)17-9-11-18(12-10-17)28-24(33)22-21(30-20(31)13-15(3)27-26(30)36-22)23(32)29-19-8-6-7-14(2)16(19)4/h6-13H,5H2,1-4H3,(H,28,33)(H,29,32)

InChI Key

QLNCKVLMTBZHKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.17

Polar Surface Area

92.314

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with D082-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0562?
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What is the minimum amount of D082-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0562
  • 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 D082-0562 available by request