V013-5562 Screening compound: ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V013-5562 Screening compound: ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V013-5562 Screening compound: ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5562
ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-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

V013-5562

Molecular Formula

C31H36N4O3S (C31 H36 N4 O3 S)

Compound Name

ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-methyl-5-(2-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)N=C2SC=C(CC(N3CCN(CCc4ccccc4)CC3)=O)N2C1c1c(C)cccc1)=O

InChI

InChI=1S/C31H36N4O3S/c1-4-38-30(37)28-23(3)32-31-35(29(28)26-13-9-8-10-22(26)2)25(21-39-31)20-27(36)34-18-16-33(17-19-34)15-14-24-11-6-5-7-12-24/h5-13,21,29H,4,14-20H2,1-3H3/t29-/m1/s1

InChI Key

WGOJIOJABWYBGY-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19974116

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.704

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.38

Polar Surface Area

52.050

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.70

References: we are preparing a list of scientific research reports with V013-5562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5562?
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What is the minimum amount of V013-5562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5562
  • 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 V013-5562 available by request