V026-5043 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V026-5043 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V026-5043 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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 V026-5043
2-[4-(2,4-difluorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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

V026-5043

Molecular Formula

C33H24F4N4O2S (C33 H24 F4 N4 O2 S)

Compound Name

2-[4-(2,4-difluorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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)-1-(4-fluorophenyl)-7-oxo-3-phenyl-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-c(cc1)ccc1F)C2=O)NCc(cc1)ccc1F

InChI

InChI=1S/C33H24F4N4O2S/c34-22-8-6-20(7-9-22)17-38-28(42)18-40-29(43)19-44-32(26-15-12-24(36)16-27(26)37)30-31(21-4-2-1-3-5-21)39-41(33(30)40)25-13-10-23(35)11-14-25/h1-16,32H,17-19H2,(H,38,42)/t32-/m1/s1

InChI Key

RIGXHFGDPCWDIL-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19793142

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

616.64

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

6.438

Distribution Coefficient, logD

6.438

Water Solubility, LogSw

-6.06

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 V026-5043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5043?
Check Price and Availability of V026-5043, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V026-5043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5043
  • 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 V026-5043 available by request