V027-7516 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

V027-7516 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
V027-7516 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7516
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-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

V027-7516

Molecular Formula

C26H30N6O2S (C26 H30 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(SCc2cc(C(NCc3cnccc3)=O)ccc2)nc(N(CC2)CCN2C(C)=O)c1

InChI

InChI=1S/C26H30N6O2S/c1-3-23-15-24(32-12-10-31(11-13-32)19(2)33)30-26(29-23)35-18-20-6-4-8-22(14-20)25(34)28-17-21-7-5-9-27-16-21/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,28,34)

InChI Key

XZEIQCXQTHFLKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816358

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.28

Polar Surface Area

71.798

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V027-7516 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 V027-7516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7516?
Check Price and Availability of V027-7516, 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 V027-7516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7516
  • 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 V027-7516 available by request