2388-1077 Screening compound: ethyl 2-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1077 Screening compound: ethyl 2-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1077 Screening compound: ethyl 2-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1077
ethyl 2-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-5-(4-methoxyphenyl)-7-methyl-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

2388-1077

Molecular Formula

C27H25N3O5S (C27 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1/C1=C(\C(N2C3c(cc4)ccc4OC)=O)/SC2=NC(C)=C3C(OCC)=O)C1=O

InChI

InChI=1S/C27H25N3O5S/c1-5-29-19-10-8-7-9-18(19)21(24(29)31)23-25(32)30-22(16-11-13-17(34-4)14-12-16)20(26(33)35-6-2)15(3)28-27(30)36-23/h7-14,22H,5-6H2,1-4H3/t22-/m1/s1

InChI Key

MRZDUUHSMSJREB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01072520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.24

Polar Surface Area

68.756

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 2388-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1077?
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What is the minimum amount of 2388-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1077
  • 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 2388-1077 available by request