V009-8146 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V009-8146 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V009-8146 Screening compound: 2-[4-(2,4-difluorophenyl)-1-methyl-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 V009-8146
2-[4-(2,4-difluorophenyl)-1-methyl-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

V009-8146

Molecular Formula

C28H23F3N4O2S (C28 H23 F3 N4 O2 S)

Compound Name

2-[4-(2,4-difluorophenyl)-1-methyl-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-methyl-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

SMILES

Cn(c(N1CC(NCc(cc2)ccc2F)=O)c2C(c(ccc(F)c3)c3F)SCC1=O)nc2-c1ccccc1

InChI

InChI=1S/C28H23F3N4O2S/c1-34-28-25(26(33-34)18-5-3-2-4-6-18)27(21-12-11-20(30)13-22(21)31)38-16-24(37)35(28)15-23(36)32-14-17-7-9-19(29)10-8-17/h2-13,27H,14-16H2,1H3,(H,32,36)/t27-/m1/s1

InChI Key

LMXBEUDOYQMUFK-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19793169

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.36

Polar Surface Area

54.918

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V009-8146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8146?
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What is the minimum amount of V009-8146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8146
  • 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 V009-8146 available by request