V019-5136 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V019-5136 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V019-5136 Screening compound: 2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5136
2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)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

V019-5136

Molecular Formula

C33H25F3N4O2S (C33 H25 F3 N4 O2 S)

Compound Name

2-[4-(2,4-difluorophenyl)-7-oxo-1,3-diphenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-[4-(24-difluorophenyl)-7-oxo-13-diphenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

SMILES

O=C(CN(c1c(C(c(ccc(F)c2)c2F)SC2)c(-c3ccccc3)nn1-c1ccccc1)C2=O)NCc(cc1)ccc1F

InChI

InChI=1S/C33H25F3N4O2S/c34-23-13-11-21(12-14-23)18-37-28(41)19-39-29(42)20-43-32(26-16-15-24(35)17-27(26)36)30-31(22-7-3-1-4-8-22)38-40(33(30)39)25-9-5-2-6-10-25/h1-17,32H,18-20H2,(H,37,41)/t32-/m1/s1

InChI Key

WAQDFZFSVGATAH-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19997586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.287

Distribution Coefficient, logD

6.287

Water Solubility, LogSw

-5.97

Polar Surface Area

54.496

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.10

References: we are preparing a list of scientific research reports with V019-5136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5136?
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What is the minimum amount of V019-5136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5136
  • 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 V019-5136 available by request