5234-1644 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5234-1644 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5234-1644 Screening compound: (6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5234-1644
(6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-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

5234-1644

Molecular Formula

C26H22N4O2S (C26 H22 N4 O2 S)

Compound Name

(6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-({1-[2-(4-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-3-phenyl-5H6H7H-[13]thiazolo[32-a]pyrimidin-7-one

SMILES

Cc(cc1)ccc1OCCn1c(/C=C(/C(N(C(c2ccccc2)=CS2)C2=N2)=N)\C2=O)ccc1

InChI

InChI=1S/C26H22N4O2S/c1-18-9-11-21(12-10-18)32-15-14-29-13-5-8-20(29)16-22-24(27)30-23(19-6-3-2-4-7-19)17-33-26(30)28-25(22)31/h2-13,16-17,27H,14-15H2,1H3

InChI Key

DAIXWFIIKJXPFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05977778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.27

Polar Surface Area

51.939

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

5234-1644 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5234-1644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5234-1644?
Check Price and Availability of 5234-1644, 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 5234-1644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5234-1644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5234-1644
  • 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 5234-1644 available by request