2388-1165 Screening compound: ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1165 Screening compound: ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1165 Screening compound: ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2388-1165
ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-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

2388-1165

Molecular Formula

C21H17N3O5S2 (C21 H17 N3 O5 S2)

Compound Name

ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl (2Z)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-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\c1cccs1)=O

InChI

InChI=1S/C21H17N3O5S2/c1-3-29-20(26)17-12(2)22-21-23(18(17)13-6-4-7-14(10-13)24(27)28)19(25)16(31-21)11-15-8-5-9-30-15/h4-11,18H,3H2,1-2H3/t18-/m1/s1

InChI Key

LYJBOMFOGNLQKC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01072743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.10

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

27.35

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 2388-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1165?
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What is the minimum amount of 2388-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1165
  • 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 2388-1165 available by request