V026-5006 Screening compound: 1,3-di(tert-butyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

V026-5006 Screening compound: 1,3-di(tert-butyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
V026-5006 Screening compound: 1,3-di(tert-butyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5006
1,3-di(tert-butyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-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

V026-5006

Molecular Formula

C27H38N4O3S (C27 H38 N4 O3 S)

Compound Name

1,3-di(tert-butyl)-4-(2-methoxyphenyl)-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

IUPAC name

13-di-tert-butyl-4-(2-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c1nn(C(C)(C)C)c(N2CC(N3CCCC3)=O)c1C(c(cccc1)c1OC)SCC2=O

InChI

InChI=1S/C27H38N4O3S/c1-26(2,3)24-22-23(18-12-8-9-13-19(18)34-7)35-17-21(33)30(16-20(32)29-14-10-11-15-29)25(22)31(28-24)27(4,5)6/h8-9,12-13,23H,10-11,14-17H2,1-7H3/t23-/m1/s1

InChI Key

HYKZQYQSZJJMOP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19795123

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.56

Polar Surface Area

55.652

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

V026-5006 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 V026-5006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5006?
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What is the minimum amount of V026-5006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5006
  • 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 V026-5006 available by request