V024-8231 Screening compound: N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide

V024-8231 Screening compound: N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
V024-8231 Screening compound: N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8231
N-cyclopropyl-3-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-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

V024-8231

Molecular Formula

C28H30F3N5O2S (C28 H30 F3 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COCc1nc(SCc2cc(C(NC3CC3)=O)ccc2)nc(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C28H30F3N5O2S/c1-38-17-23-16-25(36-12-10-35(11-13-36)24-7-3-6-21(15-24)28(29,30)31)34-27(33-23)39-18-19-4-2-5-20(14-19)26(37)32-22-8-9-22/h2-7,14-16,22H,8-13,17-18H2,1H3,(H,32,37)

InChI Key

CBSQESHSQMLDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828046

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

5.486

Water Solubility, LogSw

-5.54

Polar Surface Area

56.825

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V024-8231 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 V024-8231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8231?
Check Price and Availability of V024-8231, 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 V024-8231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8231
  • 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 V024-8231 available by request