2388-1174 Screening compound: ethyl 2-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1174 Screening compound: ethyl 2-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1174 Screening compound: ethyl 2-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1174
ethyl 2-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-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

2388-1174

Molecular Formula

C26H20N4O7S (C26 H20 N4 O7 S)

Compound Name

ethyl 2-[(3Z)-1-acetyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-[(3Z)-1-acetyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-7-methyl-5-(3-nitrophenyl)-3-oxo-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C(C(c1cc([N+]([O-])=O)ccc1)N1C2=O)=C(C)N=C1S/C2=C(/c(cccc1)c1N1C(C)=O)\C1=O)=O

InChI

InChI=1S/C26H20N4O7S/c1-4-37-25(34)19-13(2)27-26-29(21(19)15-8-7-9-16(12-15)30(35)36)24(33)22(38-26)20-17-10-5-6-11-18(17)28(14(3)31)23(20)32/h5-12,21H,4H2,1-3H3/t21-/m1/s1

InChI Key

JKLRYJZMNSTDEN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01072752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.53

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-3.29

Polar Surface Area

107.921

Acid Dissociation Constant (pKa)

21.30

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2388-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1174?
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What is the minimum amount of 2388-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1174
  • 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 2388-1174 available by request