V021-1213 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-fluorophenyl)-1-(3-methylphenyl)-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V021-1213 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-fluorophenyl)-1-(3-methylphenyl)-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V021-1213 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-fluorophenyl)-1-(3-methylphenyl)-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 V021-1213
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-fluorophenyl)-1-(3-methylphenyl)-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

V021-1213

Molecular Formula

C33H32FN5O3S (C33 H32 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCN1C(CN(c1c(C(c2cc(F)ccc2)SC2)c(-c3ccccc3)nn1-c1cc(C)ccc1)C2=O)=O)=O

InChI

InChI=1S/C33H32FN5O3S/c1-22-8-6-13-27(18-22)39-33-30(31(35-39)24-9-4-3-5-10-24)32(25-11-7-12-26(34)19-25)43-21-29(42)38(33)20-28(41)37-16-14-36(15-17-37)23(2)40/h3-13,18-19,32H,14-17,20-21H2,1-2H3/t32-/m1/s1

InChI Key

SVYCUOCQDAGCAC-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD19790997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.45

Polar Surface Area

63.613

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V021-1213 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V021-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1213?
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What is the minimum amount of V021-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1213
  • 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 V021-1213 available by request