2388-1056 Screening compound: methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

2388-1056 Screening compound: methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2388-1056 Screening compound: methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-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 2388-1056
methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-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

2388-1056

Molecular Formula

C20H16N2O3S2 (C20 H16 N2 O3 S2)

Compound Name

methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl (2E)-7-methyl-3-oxo-2-(phenylmethylidene)-5-(thiophen-2-yl)-2H3H5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C(N(C1c2cccs2)C2=O)S/C2=C/c2ccccc2)=C1C(OC)=O

InChI

InChI=1S/C20H16N2O3S2/c1-12-16(19(24)25-2)17(14-9-6-10-26-14)22-18(23)15(27-20(22)21-12)11-13-7-4-3-5-8-13/h3-11,17H,1-2H3/t17-/m1/s1

InChI Key

GVVIIOHTRAYOGS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01072500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-3.91

Polar Surface Area

47.186

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

2388-1056 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2388-1056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2388-1056?
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What is the minimum amount of 2388-1056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2388-1056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2388-1056
  • 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 2388-1056 available by request