V005-6002 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

V005-6002 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide
V005-6002 Screening compound: 2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-6002
2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)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

V005-6002

Molecular Formula

C32H32F2N4O2S (C32 H32 F2 N4 O2 S)

Compound Name

2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

IUPAC name

2-[4-(24-difluorophenyl)-1-(23-dimethylphenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CNC(CN(c1c(C(c(ccc(F)c2)c2F)SC2)c(-c3ccccc3)nn1-c1c(C)c(C)ccc1)C2=O)=O

InChI

InChI=1S/C32H32F2N4O2S/c1-19(2)16-35-27(39)17-37-28(40)18-41-31(24-14-13-23(33)15-25(24)34)29-30(22-10-6-5-7-11-22)36-38(32(29)37)26-12-8-9-20(3)21(26)4/h5-15,19,31H,16-18H2,1-4H3,(H,35,39)/t31-/m1/s1

InChI Key

WIUWUVHOJDRDGQ-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19789783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.69

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

6.765

Distribution Coefficient, logD

6.765

Water Solubility, LogSw

-5.66

Polar Surface Area

54.467

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V005-6002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-6002?
Check Price and Availability of V005-6002, 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 V005-6002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-6002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-6002
  • 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 V005-6002 available by request