D082-0069 Screening compound: methyl 4-{3-[(2,4-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate

D082-0069 Screening compound: methyl 4-{3-[(2,4-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-amido}benzoate
D082-0069 Screening compound: methyl 4-{3-[(2,4-dimethoxyphenyl)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 D082-0069
methyl 4-{3-[(2,4-dimethoxyphenyl)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

D082-0069

Molecular Formula

C25H22N4O7S (C25 H22 N4 O7 S)

Compound Name

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

IUPAC name

methyl 4-{3-[(24-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidine-2-amido}benzoate

SMILES

CC(N=C1SC(C(Nc(cc2)ccc2C(OC)=O)=O)=C(C(Nc(ccc(OC)c2)c2OC)=O)N11)=CC1=O

InChI

InChI=1S/C25H22N4O7S/c1-13-11-19(30)29-20(22(31)28-17-10-9-16(34-2)12-18(17)35-3)21(37-25(29)26-13)23(32)27-15-7-5-14(6-8-15)24(33)36-4/h5-12H,1-4H3,(H,27,32)(H,28,31)

InChI Key

IRQYROJHHJYKBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05743780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-3.65

Polar Surface Area

107.908

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D082-0069 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D082-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0069?
Check Price and Availability of D082-0069, 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 D082-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0069
  • 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 D082-0069 available by request