V007-3857 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V007-3857 Screening compound: 2-[3-tert-butyl-1-(3-chlorophenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V007-3857 Screening compound: 2-[3-tert-butyl-1-(3-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 V007-3857
2-[3-tert-butyl-1-(3-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

V007-3857

Molecular Formula

C25H29ClN4O2S2 (C25 H29 ClN4 O2 S2)

Compound Name

2-[3-tert-butyl-1-(3-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-(3-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-c1cccc(Cl)c1)C2=O)=O

InChI

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

InChI Key

LIFQZXYJHBIUFS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19805540

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

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.81

Polar Surface Area

55.899

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V007-3857 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 V007-3857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3857?
Check Price and Availability of V007-3857, 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 V007-3857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3857
  • 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 V007-3857 available by request