V029-5007 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-5007 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-5007 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5007
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-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

V029-5007

Molecular Formula

C29H30N4O4S (C29 H30 N4 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

CC(COC)n1c(SCc(cccc2)c2C(NCc(cc2)cc3c2OCO3)=O)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C29H30N4O4S/c1-19-8-11-22(12-9-19)27-31-32-29(33(27)20(2)16-35-3)38-17-23-6-4-5-7-24(23)28(34)30-15-21-10-13-25-26(14-21)37-18-36-25/h4-14,20H,15-18H2,1-3H3,(H,30,34)/t20-/m0/s1

InChI Key

HUSYIXHJOSJNLJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27633155

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.562

Distribution Coefficient, logD

5.562

Water Solubility, LogSw

-5.39

Polar Surface Area

74.853

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

V029-5007 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-5007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5007?
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What is the minimum amount of V029-5007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5007
  • 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 V029-5007 available by request