V021-2934 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V021-2934 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V021-2934 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-2934
4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

V021-2934

Molecular Formula

C30H34N4O5S (C30 H34 N4 O5 S)

Compound Name

4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(2H-13-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(C)(C)c(c(C(c(cc1)cc2c1OCO2)SC1)c2N(CC(N3CCCC3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C30H34N4O5S/c1-30(2,3)28-26-27(19-7-12-22-23(15-19)39-18-38-22)40-17-25(36)33(16-24(35)32-13-5-6-14-32)29(26)34(31-28)20-8-10-21(37-4)11-9-20/h7-12,15,27H,5-6,13-14,16-18H2,1-4H3/t27-/m1/s1

InChI Key

WPCMMJJRLJHYEF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19795049

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

562.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.206

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-5.07

Polar Surface Area

71.714

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

V021-2934 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V021-2934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-2934?
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What is the minimum amount of V021-2934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-2934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-2934
  • 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 V021-2934 available by request