4384-0594 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

4384-0594 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
4384-0594 Screening compound: 4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4384-0594
4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

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

4384-0594

Molecular Formula

C27H21N3O6S2 (C27 H21 N3 O6 S2)

Compound Name

4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

IUPAC name

4-{[(6Z)-5-imino-7-oxo-3-phenyl-5H6H7H-[13]thiazolo[32-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate

SMILES

COc(cc1)ccc1S(Oc(ccc(/C=C(/C(N(C(c1ccccc1)=CS1)C1=N1)=N)\C1=O)c1)c1OC)(=O)=O

InChI

InChI=1S/C27H21N3O6S2/c1-34-19-9-11-20(12-10-19)38(32,33)36-23-13-8-17(15-24(23)35-2)14-21-25(28)30-22(18-6-4-3-5-7-18)16-37-27(30)29-26(21)31/h3-16,28H,1-2H3

InChI Key

XFSHKUFEVLZZEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02992478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.14

Polar Surface Area

93.495

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with 4384-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4384-0594?
Check Price and Availability of 4384-0594, 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 4384-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4384-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4384-0594
  • 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 4384-0594 available by request