3561-0433 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid

3561-0433 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid
3561-0433 Screening compound: 4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3561-0433
4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid

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

3561-0433

Molecular Formula

C24H19FN2O5S (C24 H19 FN2 O5 S)

Compound Name

4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl}benzoic acid

IUPAC name

4-{[(2Z)-6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidin-2-ylidene]methyl}benzoic acid

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C24H19FN2O5S/c1-3-32-23(31)19-13(2)26-24-27(20(19)15-8-10-17(25)11-9-15)21(28)18(33-24)12-14-4-6-16(7-5-14)22(29)30/h4-12,20H,3H2,1-2H3,(H,29,30)/t20-/m1/s1

InChI Key

XNKILWFYEHUPLW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02951517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-4.17

Polar Surface Area

74.156

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 3561-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3561-0433?
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What is the minimum amount of 3561-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3561-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3561-0433
  • 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 3561-0433 available by request