V027-8621 Screening compound: 3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

V027-8621 Screening compound: 3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
V027-8621 Screening compound: 3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8621
3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

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

V027-8621

Molecular Formula

C25H30N6OS (C25 H30 N6 OS)

Compound Name

3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

3-({[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

SMILES

CCN(CC1)CCN1c1cc(C)nc(SCc2cc(C(NCc3cnccc3)=O)ccc2)n1

InChI

InChI=1S/C25H30N6OS/c1-3-30-10-12-31(13-11-30)23-14-19(2)28-25(29-23)33-18-20-6-4-8-22(15-20)24(32)27-17-21-7-5-9-26-16-21/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,27,32)

InChI Key

CNROYLIKKJRUOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19824135

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-3.07

Polar Surface Area

57.450

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V027-8621 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 V027-8621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8621?
Check Price and Availability of V027-8621, 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 V027-8621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8621
  • 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 V027-8621 available by request