V020-3051 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-methyl-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V020-3051 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-methyl-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V020-3051 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-methyl-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3051
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-methyl-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V020-3051

Molecular Formula

C29H33N5O5S (C29 H33 N5 O5 S)

Compound Name

8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-methyl-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(25-dimethoxyphenyl)-1-methyl-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(N(CC1)CCN1C(CN(c1c(C(c(cc(cc2)OC)c2OC)SC2)c(-c3ccccc3)nn1C)C2=O)=O)=O

InChI

InChI=1S/C29H33N5O5S/c1-19(35)32-12-14-33(15-13-32)24(36)17-34-25(37)18-40-28(22-16-21(38-3)10-11-23(22)39-4)26-27(30-31(2)29(26)34)20-8-6-5-7-9-20/h5-11,16,28H,12-15,17-18H2,1-4H3/t28-/m1/s1

InChI Key

HBTRWXGISPKAPU-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19789603

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-2.86

Polar Surface Area

79.208

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

References: we are preparing a list of scientific research reports with V020-3051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3051?
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What is the minimum amount of V020-3051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3051
  • 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 V020-3051 available by request