V025-1749 Screening compound: 4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

V025-1749 Screening compound: 4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine
V025-1749 Screening compound: 4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1749
4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)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

V025-1749

Molecular Formula

C29H35N5O2S (C29 H35 N5 O2 S)

Compound Name

4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

IUPAC name

4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)-2-({[3-(pyrrolidine-1-carbonyl)phenyl]methyl}sulfanyl)pyrimidine

SMILES

COCc1nc(SCc2cc(C(N3CCCC3)=O)ccc2)nc(N2CCN(Cc3ccccc3)CC2)c1

InChI

InChI=1S/C29H35N5O2S/c1-36-21-26-19-27(33-16-14-32(15-17-33)20-23-8-3-2-4-9-23)31-29(30-26)37-22-24-10-7-11-25(18-24)28(35)34-12-5-6-13-34/h2-4,7-11,18-19H,5-6,12-17,20-22H2,1H3

InChI Key

DFWDIGNIYMZZEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828249

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.32

Polar Surface Area

49.650

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

V025-1749 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V025-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1749?
Check Price and Availability of V025-1749, 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 V025-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1749
  • 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 V025-1749 available by request