V026-2162 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V026-2162 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V026-2162 Screening compound: 2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-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 V026-2162
2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-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

V026-2162

Molecular Formula

C33H36N4O5S (C33 H36 N4 O5 S)

Compound Name

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

SMILES

Cc1cccc(-n(c(N2CC(NCCOC)=O)c3C(c(cc4)cc(OC)c4OC)SCC2=O)nc3-c2ccccc2)c1C

InChI

InChI=1S/C33H36N4O5S/c1-21-10-9-13-25(22(21)2)37-33-30(31(35-37)23-11-7-6-8-12-23)32(24-14-15-26(41-4)27(18-24)42-5)43-20-29(39)36(33)19-28(38)34-16-17-40-3/h6-15,18,32H,16-17,19-20H2,1-5H3,(H,34,38)/t32-/m1/s1

InChI Key

ATMKKLKOUSBUMC-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19793446

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

600.74

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

5.030

Distribution Coefficient, logD

5.030

Water Solubility, LogSw

-4.62

Polar Surface Area

77.912

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.30

References: we are preparing a list of scientific research reports with V026-2162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2162?
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What is the minimum amount of V026-2162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2162
  • 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 V026-2162 available by request