V030-6064 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V030-6064 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V030-6064 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6064
2-[4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)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

V030-6064

Molecular Formula

C32H34N4O5S (C32 H34 N4 O5 S)

Compound Name

2-[4-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

IUPAC name

2-[4-(25-dimethoxyphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

SMILES

Cc(cc1)ccc1-n(c(N1CC(NCCOC)=O)c2C(c(cc(cc3)OC)c3OC)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C32H34N4O5S/c1-21-10-12-23(13-11-21)36-32-29(30(34-36)22-8-6-5-7-9-22)31(25-18-24(40-3)14-15-26(25)41-4)42-20-28(38)35(32)19-27(37)33-16-17-39-2/h5-15,18,31H,16-17,19-20H2,1-4H3,(H,33,37)/t31-/m1/s1

InChI Key

VGEFAQKZKULYCJ-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD14456959

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

586.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.64

Polar Surface Area

78.126

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V030-6064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6064?
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What is the minimum amount of V030-6064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6064
  • 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 V030-6064 available by request