V017-0961 Screening compound: methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V017-0961 Screening compound: methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V017-0961 Screening compound: methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0961
methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]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

V017-0961

Molecular Formula

C24H29ClN4O3S (C24 H29 ClN4 O3 S)

Compound Name

methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(2-chlorophenyl)-7-methyl-3-{[methyl(1-methylpiperidin-4-yl)carbamoyl]methyl}-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CC(N=C1SC=C(CC(N(C)C2CCN(C)CC2)=O)N1C1c(cccc2)c2Cl)=C1C(OC)=O

InChI

InChI=1S/C24H29ClN4O3S/c1-15-21(23(31)32-4)22(18-7-5-6-8-19(18)25)29-17(14-33-24(29)26-15)13-20(30)28(3)16-9-11-27(2)12-10-16/h5-8,14,16,22H,9-13H2,1-4H3/t22-/m0/s1

InChI Key

SBPWVGOZFCEBNE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19974465

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-3.33

Polar Surface Area

50.982

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

V017-0961 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 V017-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0961?
Check Price and Availability of V017-0961, 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 V017-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0961
  • 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 V017-0961 available by request