4340-2578 Screening compound: prop-2-en-1-yl 7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

4340-2578 Screening compound: prop-2-en-1-yl 7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
4340-2578 Screening compound: prop-2-en-1-yl 7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2578
prop-2-en-1-yl 7-methyl-3-oxo-2-[(3Z)-2-oxo-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-3-ylidene]-5-(thiophen-2-yl)-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

4340-2578

Molecular Formula

C26H21N3O4S2 (C26 H21 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(N(C1c2cccs2)C2=O)S/C2=C(/c(cccc2)c2N2CC=C)\C2=O)=C1C(OCC=C)=O

InChI

InChI=1S/C26H21N3O4S2/c1-4-12-28-17-10-7-6-9-16(17)20(23(28)30)22-24(31)29-21(18-11-8-14-34-18)19(25(32)33-13-5-2)15(3)27-26(29)35-22/h4-11,14,21H,1-2,12-13H2,3H3/t21-/m1/s1

InChI Key

FIFNBQNZKQVGGC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02978182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.16

Polar Surface Area

62.778

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 4340-2578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2578?
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What is the minimum amount of 4340-2578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2578
  • 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 4340-2578 available by request