D082-0128 Screening compound: propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-amido]benzoate

D082-0128 Screening compound: propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-amido]benzoate
D082-0128 Screening compound: propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D082-0128
propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-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

D082-0128

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-amido]benzoate

IUPAC name

propyl 3-[5-oxo-2-(phenylcarbamoyl)-7-propyl-5H-[13]thiazolo[32-a]pyrimidine-3-amido]benzoate

SMILES

CCCC(N=C1SC(C(Nc2ccccc2)=O)=C(C(Nc2cc(C(OCCC)=O)ccc2)=O)N11)=CC1=O

InChI

InChI=1S/C27H26N4O5S/c1-3-9-19-16-21(32)31-22(23(37-27(31)30-19)25(34)28-18-11-6-5-7-12-18)24(33)29-20-13-8-10-17(15-20)26(35)36-14-4-2/h5-8,10-13,15-16H,3-4,9,14H2,1-2H3,(H,28,34)(H,29,33)

InChI Key

UGEYAEZLCAPXCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06642470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-5.07

Polar Surface Area

93.913

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D082-0128 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D082-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D082-0128?
Check Price and Availability of D082-0128, 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 D082-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D082-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D082-0128
  • 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 D082-0128 available by request