V017-3064 Screening compound: 2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-3064 Screening compound: 2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-3064 Screening compound: 2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3064
2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-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

V017-3064

Molecular Formula

C30H34N4O4S (C30 H34 N4 O4 S)

Compound Name

2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

2-methoxyethyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-phenyl-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(N2CCN(Cc3ccccc3)CC2)=O)N1C1c2ccccc2)=C1C(OCCOC)=O

InChI

InChI=1S/C30H34N4O4S/c1-22-27(29(36)38-18-17-37-2)28(24-11-7-4-8-12-24)34-25(21-39-30(34)31-22)19-26(35)33-15-13-32(14-16-33)20-23-9-5-3-6-10-23/h3-12,21,28H,13-20H2,1-2H3/t28-/m1/s1

InChI Key

RDFCVWPDDAYREW-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19974124

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.02

Polar Surface Area

60.708

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.70

V017-3064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-3064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3064?
Check Price and Availability of V017-3064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V017-3064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3064
  • 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 V017-3064 available by request