V027-6121 Screening compound: 3-tert-butyl-4-(2,5-dimethoxyphenyl)-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

V027-6121 Screening compound: 3-tert-butyl-4-(2,5-dimethoxyphenyl)-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
V027-6121 Screening compound: 3-tert-butyl-4-(2,5-dimethoxyphenyl)-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 V027-6121
3-tert-butyl-4-(2,5-dimethoxyphenyl)-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

V027-6121

Molecular Formula

C31H38N4O5S (C31 H38 N4 O5 S)

Compound Name

3-tert-butyl-4-(2,5-dimethoxyphenyl)-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

3-tert-butyl-4-(25-dimethoxyphenyl)-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(cc(cc1)OC)c1OC)SC1)c2N(CC(N3CCCC3)=O)C1=O)nn2-c(cc1)ccc1OC

InChI

InChI=1S/C31H38N4O5S/c1-31(2,3)29-27-28(23-17-22(39-5)13-14-24(23)40-6)41-19-26(37)34(18-25(36)33-15-7-8-16-33)30(27)35(32-29)20-9-11-21(38-4)12-10-20/h9-14,17,28H,7-8,15-16,18-19H2,1-6H3/t28-/m1/s1

InChI Key

VWRPRAVYDDHCFO-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19793503

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.33

Polar Surface Area

69.773

Acid Dissociation Constant (pKa)

21.40

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.20

V027-6121 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 V027-6121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6121?
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What is the minimum amount of V027-6121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6121
  • 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 V027-6121 available by request