V029-7423 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V029-7423 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V029-7423 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7423
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-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

V029-7423

Molecular Formula

C28H27ClN4O4S (C28 H27 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(COC)n1c(SCc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)nnc1-c(cccc1)c1Cl

InChI

InChI=1S/C28H27ClN4O4S/c1-18(15-35-2)33-26(22-5-3-4-6-23(22)29)31-32-28(33)38-16-19-7-10-21(11-8-19)27(34)30-14-20-9-12-24-25(13-20)37-17-36-24/h3-13,18H,14-17H2,1-2H3,(H,30,34)/t18-/m0/s1

InChI Key

MVXPWFSBBQLVPB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27633328

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.07

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

4.564

Distribution Coefficient, logD

4.564

Water Solubility, LogSw

-4.59

Polar Surface Area

74.853

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V029-7423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7423?
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What is the minimum amount of V029-7423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7423
  • 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 V029-7423 available by request