V005-9304 Screening compound: 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

V005-9304 Screening compound: 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
V005-9304 Screening compound: 2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-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 V005-9304
2-[1-(2-chlorophenyl)-4-(3-chlorophenyl)-7-oxo-3-(thiophen-2-yl)-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

V005-9304

Molecular Formula

C31H23Cl2FN4O2S2 (C31 H23 Cl2 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c1c(C(c2cc(Cl)ccc2)SC2)c(-c3cccs3)nn1-c(cccc1)c1Cl)C2=O)NCc(cc1)ccc1F

InChI

InChI=1S/C31H23Cl2FN4O2S2/c32-21-6-3-5-20(15-21)30-28-29(25-9-4-14-41-25)36-38(24-8-2-1-7-23(24)33)31(28)37(27(40)18-42-30)17-26(39)35-16-19-10-12-22(34)13-11-19/h1-15,30H,16-18H2,(H,35,39)/t30-/m1/s1

InChI Key

ZQVOBMIKRFPLEM-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD27499515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

637.59

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

7.242

Distribution Coefficient, logD

7.242

Water Solubility, LogSw

-6.53

Polar Surface Area

55.214

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with V005-9304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9304?
Check Price and Availability of V005-9304, 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 V005-9304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9304
  • 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 V005-9304 available by request