V024-8025 Screening compound: N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

V024-8025 Screening compound: N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
V024-8025 Screening compound: N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8025
N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}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

V024-8025

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

IUPAC name

N-(cyclopropylmethyl)-3-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

SMILES

COCc1nc(SCc2cc(C(NCC3CC3)=O)ccc2)nc(N2CCCC2)c1

InChI

InChI=1S/C22H28N4O2S/c1-28-14-19-12-20(26-9-2-3-10-26)25-22(24-19)29-15-17-5-4-6-18(11-17)21(27)23-13-16-7-8-16/h4-6,11-12,16H,2-3,7-10,13-15H2,1H3,(H,23,27)

InChI Key

RFZXKBSIDRWKOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827895

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.08

Polar Surface Area

54.398

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V024-8025 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 V024-8025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8025?
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What is the minimum amount of V024-8025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8025
  • 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 V024-8025 available by request