V008-9796 Screening compound: methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V008-9796 Screening compound: methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V008-9796 Screening compound: methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9796
methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-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

V008-9796

Molecular Formula

C28H29ClN4O3S (C28 H29 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C1SC=C(CC(N2CCN(Cc3ccccc3)CC2)=O)N1C1c(cc2)ccc2Cl)=C1C(OC)=O

InChI

InChI=1S/C28H29ClN4O3S/c1-19-25(27(35)36-2)26(21-8-10-22(29)11-9-21)33-23(18-37-28(33)30-19)16-24(34)32-14-12-31(13-15-32)17-20-6-4-3-5-7-20/h3-11,18,26H,12-17H2,1-2H3/t26-/m0/s1

InChI Key

BVQGGWKGEXAPJB-SANMLTNESA-N

MDL Number (MFCD)

MFCD19974537

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

537.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.78

Polar Surface Area

52.492

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V008-9796 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V008-9796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9796?
Check Price and Availability of V008-9796, 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 V008-9796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9796
  • 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 V008-9796 available by request