V026-4718 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

V026-4718 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
V026-4718 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4718
2-[4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

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

V026-4718

Molecular Formula

C34H32N4O5S (C34 H32 N4 O5 S)

Compound Name

2-[4-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[4-(34-dimethoxyphenyl)-1-(3-methylphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1cccc(-n(c(N2CC(NCc3ccco3)=O)c3C(c(cc4)cc(OC)c4OC)SCC2=O)nc3-c2ccccc2)c1

InChI

InChI=1S/C34H32N4O5S/c1-22-9-7-12-25(17-22)38-34-31(32(36-38)23-10-5-4-6-11-23)33(24-14-15-27(41-2)28(18-24)42-3)44-21-30(40)37(34)20-29(39)35-19-26-13-8-16-43-26/h4-18,33H,19-21H2,1-3H3,(H,35,39)/t33-/m1/s1

InChI Key

JCKQPIKWNMUVIV-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD19789400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

608.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.046

Distribution Coefficient, logD

6.046

Water Solubility, LogSw

-5.52

Polar Surface Area

77.506

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.60

V026-4718 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 V026-4718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4718?
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What is the minimum amount of V026-4718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4718
  • 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 V026-4718 available by request