2388-1193 Screening compound: ethyl 5-[4-(acetyloxy)phenyl]-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

2388-1193 Screening compound: ethyl 5-[4-(acetyloxy)phenyl]-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
2388-1193 Screening compound: ethyl 5-[4-(acetyloxy)phenyl]-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 2388-1193
ethyl 5-[4-(acetyloxy)phenyl]-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

2388-1193

Molecular Formula

C29H25N3O6S (C29 H25 N3 O6 S)

Compound Name

ethyl 5-[4-(acetyloxy)phenyl]-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-(acetyloxy)phenyl]-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)ccc1OC(C)=O)N1C2=O)=C(C)N=C1S/C2=C(/c(cccc1)c1N1CC=C)\C1=O)=O

InChI

InChI=1S/C29H25N3O6S/c1-5-15-31-21-10-8-7-9-20(21)23(26(31)34)25-27(35)32-24(18-11-13-19(14-12-18)38-17(4)33)22(28(36)37-6-2)16(3)30-29(32)39-25/h5,7-14,24H,1,6,15H2,2-4H3/t24-/m1/s1

InChI Key

XSCLQOYGDJIDGC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01072770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.95

Polar Surface Area

82.217

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with 2388-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1193?
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What is the minimum amount of 2388-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1193
  • 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 2388-1193 available by request