V015-9675 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V015-9675 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V015-9675 Screening compound: 2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9675
2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V015-9675

Molecular Formula

C25H29ClN4O2S2 (C25 H29 ClN4 O2 S2)

Compound Name

2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

IUPAC name

2-[3-tert-butyl-1-(2-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(c2cscc2)SC2)c(C(C)(C)C)nn1-c(cccc1)c1Cl)C2=O)=O

InChI

InChI=1S/C25H29ClN4O2S2/c1-5-11-27-19(31)13-29-20(32)15-34-22(16-10-12-33-14-16)21-23(25(2,3)4)28-30(24(21)29)18-9-7-6-8-17(18)26/h6-10,12,14,22H,5,11,13,15H2,1-4H3,(H,27,31)/t22-/m0/s1

InChI Key

RQVLBQJQWZGHEZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19789395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.12

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

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.76

Polar Surface Area

55.598

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V015-9675 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 V015-9675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9675?
Check Price and Availability of V015-9675, 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 V015-9675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9675
  • 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 V015-9675 available by request