V015-4202 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V015-4202 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V015-4202 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4202
4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

V015-4202

Molecular Formula

C29H31ClN4O5S (C29 H31 ClN4 O5 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-3-tert-butyl-1-(2-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c(c(C(c(cc1)cc2c1OCO2)SC1)c2N(CC(N3CCOCC3)=O)C1=O)nn2-c(cccc1)c1Cl

InChI

InChI=1S/C29H31ClN4O5S/c1-29(2,3)27-25-26(18-8-9-21-22(14-18)39-17-38-21)40-16-24(36)33(15-23(35)32-10-12-37-13-11-32)28(25)34(31-27)20-7-5-4-6-19(20)30/h4-9,14,26H,10-13,15-17H2,1-3H3/t26-/m1/s1

InChI Key

UCOYWANLAIDZIN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19795163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.11

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.93

Polar Surface Area

71.412

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V015-4202 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V015-4202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4202?
Check Price and Availability of V015-4202, 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 V015-4202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4202
  • 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 V015-4202 available by request