V029-7437 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(1-methoxypropan-2-yl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-7437 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(1-methoxypropan-2-yl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-7437 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(1-methoxypropan-2-yl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7437
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(1-methoxypropan-2-yl)-5-methyl-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

V029-7437

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(COC)n1c(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nnc1C

InChI

InChI=1S/C23H26N4O4S/c1-15(12-29-3)27-16(2)25-26-23(27)32-13-17-4-7-19(8-5-17)22(28)24-11-18-6-9-20-21(10-18)31-14-30-20/h4-10,15H,11-14H2,1-3H3,(H,24,28)/t15-/m0/s1

InChI Key

PAEUMGPADGNNDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27633340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.296

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.82

Polar Surface Area

75.902

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V029-7437 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V029-7437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7437?
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What is the minimum amount of V029-7437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7437
  • 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 V029-7437 available by request