4272-0255 Screening compound: (6Z)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4272-0255 Screening compound: (6Z)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4272-0255 Screening compound: (6Z)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4272-0255
(6Z)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[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

4272-0255

Molecular Formula

C28H24N4O4S (C28 H24 N4 O4 S)

Compound Name

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

IUPAC name

(6Z)-5-imino-6-({4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-(2-methylphenyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc(cccc1)c1C(SC1=NC(/C2=C\c(cc3)ccc3OCCOc3cc(OC)ccc3)=O)=NN1C2=N

InChI

InChI=1S/C28H24N4O4S/c1-18-6-3-4-9-23(18)27-31-32-25(29)24(26(33)30-28(32)37-27)16-19-10-12-20(13-11-19)35-14-15-36-22-8-5-7-21(17-22)34-2/h3-13,16-17,29H,14-15H2,1-2H3

InChI Key

OVFULYNGHZNZKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09960005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.62

Polar Surface Area

76.855

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4272-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4272-0255?
Check Price and Availability of 4272-0255, 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 4272-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4272-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4272-0255
  • 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 4272-0255 available by request