V015-7451 Screening compound: 3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V015-7451 Screening compound: 3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V015-7451 Screening compound: 3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7451
3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-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

V015-7451

Molecular Formula

C27H32N4O2S2 (C27 H32 N4 O2 S2)

Compound Name

3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

3-tert-butyl-1-(3-methylphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(thiophen-2-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c(c(C(c1cccs1)SC1)c2N(CC(N3CCCC3)=O)C1=O)nn2-c1cc(C)ccc1

InChI

InChI=1S/C27H32N4O2S2/c1-18-9-7-10-19(15-18)31-26-23(25(28-31)27(2,3)4)24(20-11-8-14-34-20)35-17-22(33)30(26)16-21(32)29-12-5-6-13-29/h7-11,14-15,24H,5-6,12-13,16-17H2,1-4H3/t24-/m0/s1

InChI Key

XCFUEKHGMPKXHX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19794001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.19

Polar Surface Area

48.073

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V015-7451 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V015-7451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7451?
Check Price and Availability of V015-7451, 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 V015-7451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7451
  • 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 V015-7451 available by request