V026-9567 Screening compound: 3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

V026-9567 Screening compound: 3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
V026-9567 Screening compound: 3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9567
3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]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

V026-9567

Molecular Formula

C31H37F3N6O3S (C31 H37 F3 N6 O3 S)

Compound Name

3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

COCc1nc(SCc2cc(C(NCCN3CCOCC3)=O)ccc2)nc(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C31H37F3N6O3S/c1-42-21-26-20-28(40-12-10-39(11-13-40)27-7-3-6-25(19-27)31(32,33)34)37-30(36-26)44-22-23-4-2-5-24(18-23)29(41)35-8-9-38-14-16-43-17-15-38/h2-7,18-20H,8-17,21-22H2,1H3,(H,35,41)

InChI Key

QKLYZUMBKNNLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834700

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

630.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.34

Polar Surface Area

68.501

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

V026-9567 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V026-9567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9567?
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What is the minimum amount of V026-9567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9567
  • 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 V026-9567 available by request