5234-2590 Screening compound: (6Z)-5-imino-3-phenyl-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5234-2590 Screening compound: (6Z)-5-imino-3-phenyl-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
5234-2590 Screening compound: (6Z)-5-imino-3-phenyl-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5234-2590
(6Z)-5-imino-3-phenyl-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-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

5234-2590

Molecular Formula

C28H26N4O2S (C28 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H26N4O2S/c1-19(2)20-10-12-23(13-11-20)34-16-15-31-14-6-9-22(31)17-24-26(29)32-25(21-7-4-3-5-8-21)18-35-28(32)30-27(24)33/h3-14,17-19,29H,15-16H2,1-2H3

InChI Key

HSHUOZMUUYNHLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.51

Polar Surface Area

51.939

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

5234-2590 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 5234-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5234-2590?
Check Price and Availability of 5234-2590, 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 5234-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5234-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5234-2590
  • 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 5234-2590 available by request