5253-1020 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5253-1020 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5253-1020 Screening compound: (6Z)-6-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5253-1020
(6Z)-6-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

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

5253-1020

Molecular Formula

C23H20BrN3O3S (C23 H20 BrN3 O3 S)

Compound Name

(6Z)-6-({3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({3-bromo-4-[2-(35-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

Cc1cc(OCCOc(ccc(/C=C(/C(N(C=CS2)C2=N2)=N)\C2=O)c2)c2Br)cc(C)c1

InChI

InChI=1S/C23H20BrN3O3S/c1-14-9-15(2)11-17(10-14)29-6-7-30-20-4-3-16(13-19(20)24)12-18-21(25)27-5-8-31-23(27)26-22(18)28/h3-5,8-13,25H,6-7H2,1-2H3

InChI Key

NEPQTOQJKSSIGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05977875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.22

Polar Surface Area

57.321

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

5253-1020 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 5253-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5253-1020?
Check Price and Availability of 5253-1020, 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 5253-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5253-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5253-1020
  • 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 5253-1020 available by request