V014-4476 Screening compound: methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

V014-4476 Screening compound: methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
V014-4476 Screening compound: methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4476
methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-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

V014-4476

Molecular Formula

C29H32N4O5S (C29 H32 N4 O5 S)

Compound Name

methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

IUPAC name

methyl 5-(24-dimethylphenyl)-7-ethyl-3-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-5H-[13]thiazolo[32-a]pyrimidine-6-carboxylate

SMILES

CCC(N=C1SC=C(CC(N(CC2)CCN2C(c2ccco2)=O)=O)N1C1c2c(C)cc(C)cc2)=C1C(OC)=O

InChI

InChI=1S/C29H32N4O5S/c1-5-22-25(28(36)37-4)26(21-9-8-18(2)15-19(21)3)33-20(17-39-29(33)30-22)16-24(34)31-10-12-32(13-11-31)27(35)23-7-6-14-38-23/h6-9,14-15,17,26H,5,10-13,16H2,1-4H3/t26-/m1/s1

InChI Key

MITLNIIJUXTIFG-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19974400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-4.01

Polar Surface Area

74.593

Acid Dissociation Constant (pKa)

20.21

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

V014-4476 in Drug Discovery

Included in Screening Libraries

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

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 V014-4476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4476?
Check Price and Availability of V014-4476, 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 V014-4476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4476
  • 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 V014-4476 available by request