V026-5051 Screening compound: 2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

V026-5051 Screening compound: 2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
V026-5051 Screening compound: 2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5051
2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-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

V026-5051

Molecular Formula

C33H28ClN5O3S (C33 H28 ClN5 O3 S)

Compound Name

2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-[1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide

SMILES

COc1c(C(c(c(-c2ccccc2)nn2-c(cccc3)c3Cl)c2N2CC(NCc3ncccc3)=O)SCC2=O)cccc1

InChI

InChI=1S/C33H28ClN5O3S/c1-42-27-17-8-5-14-24(27)32-30-31(22-11-3-2-4-12-22)37-39(26-16-7-6-15-25(26)34)33(30)38(29(41)21-43-32)20-28(40)36-19-23-13-9-10-18-35-23/h2-18,32H,19-21H2,1H3,(H,36,40)/t32-/m1/s1

InChI Key

TUHYEWBGTGYDQX-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19791158

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

610.14

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.734

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.85

Polar Surface Area

71.369

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with V026-5051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5051?
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What is the minimum amount of V026-5051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5051
  • 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 V026-5051 available by request