V025-8220 Screening compound: 2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

V025-8220 Screening compound: 2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
V025-8220 Screening compound: 2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8220
2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]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

V025-8220

Molecular Formula

C32H34ClN5O3S (C32 H34 ClN5 O3 S)

Compound Name

2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

IUPAC name

2-[3-(4-chlorophenyl)-4-(2-methoxyphenyl)-1-(4-methylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

SMILES

Cc(cc1)ccc1-n(c(N1CC(NCCN(C)C)=O)c2C(c(cccc3)c3OC)SCC1=O)nc2-c(cc1)ccc1Cl

InChI

InChI=1S/C32H34ClN5O3S/c1-21-9-15-24(16-10-21)38-32-29(30(35-38)22-11-13-23(33)14-12-22)31(25-7-5-6-8-26(25)41-4)42-20-28(40)37(32)19-27(39)34-17-18-36(2)3/h5-16,31H,17-20H2,1-4H3,(H,34,39)/t31-/m1/s1

InChI Key

JIXDRDSFOAJRDK-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD27631464

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

604.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-5.93

Polar Surface Area

66.105

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V025-8220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8220?
Check Price and Availability of V025-8220, 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 V025-8220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8220
  • 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 V025-8220 available by request