V004-9374 Screening compound: 2-[1-(2,3-dimethylphenyl)-4-(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

V004-9374 Screening compound: 2-[1-(2,3-dimethylphenyl)-4-(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
V004-9374 Screening compound: 2-[1-(2,3-dimethylphenyl)-4-(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 V004-9374
2-[1-(2,3-dimethylphenyl)-4-(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

V004-9374

Molecular Formula

C34H32N4O3S (C34 H32 N4 O3 S)

Compound Name

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

SMILES

Cc1cccc(C(c(c(-c2ccccc2)nn2-c3c(C)c(C)ccc3)c2N2CC(NCc3ccco3)=O)SCC2=O)c1

InChI

InChI=1S/C34H32N4O3S/c1-22-10-7-14-26(18-22)33-31-32(25-12-5-4-6-13-25)36-38(28-16-8-11-23(2)24(28)3)34(31)37(30(40)21-42-33)20-29(39)35-19-27-15-9-17-41-27/h4-18,33H,19-21H2,1-3H3,(H,35,39)/t33-/m1/s1

InChI Key

ITCMOZBBDICQBG-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD19795215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.72

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

7.322

Distribution Coefficient, logD

7.322

Water Solubility, LogSw

-5.64

Polar Surface Area

61.944

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.60

References: we are preparing a list of scientific research reports with V004-9374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9374?
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What is the minimum amount of V004-9374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9374
  • 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 V004-9374 available by request