V020-3239 Screening compound: 1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V020-3239 Screening compound: 1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V020-3239 Screening compound: 1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3239
1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-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

V020-3239

Molecular Formula

C32H31FN4O3S (C32 H31 FN4 O3 S)

Compound Name

1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(23-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc1cccc(-n(c(N2CC(N3CCOCC3)=O)c3C(c4cc(F)ccc4)SCC2=O)nc3-c2ccccc2)c1C

InChI

InChI=1S/C32H31FN4O3S/c1-21-8-6-13-26(22(21)2)37-32-29(30(34-37)23-9-4-3-5-10-23)31(24-11-7-12-25(33)18-24)41-20-28(39)36(32)19-27(38)35-14-16-40-17-15-35/h3-13,18,31H,14-17,19-20H2,1-2H3/t31-/m1/s1

InChI Key

IWKBIXXXDCABNF-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19794947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.35

Polar Surface Area

54.025

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

V020-3239 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-3239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3239?
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What is the minimum amount of V020-3239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3239
  • 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 V020-3239 available by request