V024-6301 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

V024-6301 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide
V024-6301 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-6301
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-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

V024-6301

Molecular Formula

C28H32N4O4S (C28 H32 N4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-({[4-tert-butyl-6-(morpholin-4-yl)pyrimidin-2-yl]sulfanyl}methyl)benzamide

SMILES

CC(C)(C)c1nc(SCc2cc(C(NCc(cc3)cc4c3OCO4)=O)ccc2)nc(N2CCOCC2)c1

InChI

InChI=1S/C28H32N4O4S/c1-28(2,3)24-15-25(32-9-11-34-12-10-32)31-27(30-24)37-17-20-5-4-6-21(13-20)26(33)29-16-19-7-8-22-23(14-19)36-18-35-22/h4-8,13-15H,9-12,16-18H2,1-3H3,(H,29,33)

InChI Key

CXXXEZJNXGOTRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831854

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.45

Polar Surface Area

69.613

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V024-6301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-6301?
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What is the minimum amount of V024-6301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-6301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-6301
  • 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 V024-6301 available by request