4428-0387 Screening compound: ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4428-0387 Screening compound: ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4428-0387 Screening compound: ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0387
ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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

4428-0387

Molecular Formula

C27H22FN3O4S (C27 H22 FN3 O4 S)

Compound Name

ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-(4-fluorophenyl)-7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-3-ylidene]-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1F)N1C2=O)=C(C)N=C1S/C2=C(/c(cccc1)c1N1CC=C)\C1=O)=O

InChI

InChI=1S/C27H22FN3O4S/c1-4-14-30-19-9-7-6-8-18(19)21(24(30)32)23-25(33)31-22(16-10-12-17(28)13-11-16)20(26(34)35-5-2)15(3)29-27(31)36-23/h4,6-13,22H,1,5,14H2,2-3H3/t22-/m1/s1

InChI Key

FGYRLBJUZJNBEN-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03088869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.31

Polar Surface Area

61.466

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4428-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0387?
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What is the minimum amount of 4428-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0387
  • 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 4428-0387 available by request