V019-6639 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide

V019-6639 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-3-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[2-(dimethylamino)ethyl]acetamide
V019-6639 Screening compound: 2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-3-yl)-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 V019-6639
2-[3-tert-butyl-1-(4-methylphenyl)-7-oxo-4-(thiophen-3-yl)-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

V019-6639

Molecular Formula

C27H35N5O2S2 (C27 H35 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(c(C(c1cscc1)SC1)c2N(CC(NCCN(C)C)=O)C1=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C27H35N5O2S2/c1-18-7-9-20(10-8-18)32-26-23(25(29-32)27(2,3)4)24(19-11-14-35-16-19)36-17-22(34)31(26)15-21(33)28-12-13-30(5)6/h7-11,14,16,24H,12-13,15,17H2,1-6H3,(H,28,33)/t24-/m0/s1

InChI Key

CTKYTFMZDRWFKF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19789426

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

525.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-4.05

Polar Surface Area

59.765

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V019-6639 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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 V019-6639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-6639?
Check Price and Availability of V019-6639, 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 V019-6639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-6639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-6639
  • 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 V019-6639 available by request