V006-0466 Screening compound: 2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine

V006-0466 Screening compound: 2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine
V006-0466 Screening compound: 2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0466
2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine

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

V006-0466

Molecular Formula

C27H34N4O5S (C27 H34 N4 O5 S)

Compound Name

2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(3,4,5-trimethoxyphenyl)pyrimidine

IUPAC name

2-[4-(4-butylbenzenesulfonyl)piperazin-1-yl]-4-(345-trimethoxyphenyl)pyrimidine

SMILES

CCCCc(cc1)ccc1S(N(CC1)CCN1c1nc(-c(cc2OC)cc(OC)c2OC)ccn1)(=O)=O

InChI

InChI=1S/C27H34N4O5S/c1-5-6-7-20-8-10-22(11-9-20)37(32,33)31-16-14-30(15-17-31)27-28-13-12-23(29-27)21-18-24(34-2)26(36-4)25(19-21)35-3/h8-13,18-19H,5-7,14-17H2,1-4H3

InChI Key

FECJCAXWGWVINP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943840

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.40

Polar Surface Area

75.846

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V006-0466 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 V006-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0466?
Check Price and Availability of V006-0466, 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 V006-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0466
  • 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 V006-0466 available by request