V004-4357 Screening compound: 2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

V004-4357 Screening compound: 2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
V004-4357 Screening compound: 2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-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 V004-4357
2-[1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-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

V004-4357

Molecular Formula

C31H28N4O3S2 (C31 H28 N4 O3 S2)

Compound Name

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

IUPAC name

2-[1-(23-dimethylphenyl)-7-oxo-3-phenyl-4-(thiophen-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1cccc(-n(c(N2CC(NCc3ccco3)=O)c3C(c4cscc4)SCC2=O)nc3-c2ccccc2)c1C

InChI

InChI=1S/C31H28N4O3S2/c1-20-8-6-12-25(21(20)2)35-31-28(29(33-35)22-9-4-3-5-10-22)30(23-13-15-39-18-23)40-19-27(37)34(31)17-26(36)32-16-24-11-7-14-38-24/h3-15,18,30H,16-17,19H2,1-2H3,(H,32,36)/t30-/m0/s1

InChI Key

WPHVGFXIBROVOM-PMERELPUSA-N

MDL Number (MFCD)

MFCD19793109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.454

Distribution Coefficient, logD

6.454

Water Solubility, LogSw

-5.77

Polar Surface Area

62.962

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with V004-4357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4357?
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What is the minimum amount of V004-4357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4357
  • 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 V004-4357 available by request