V010-8864 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V010-8864 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V010-8864 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8864
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-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

V010-8864

Molecular Formula

C31H30FN5O3S2 (C31 H30 FN5 O3 S2)

Compound Name

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

SMILES

CC(N(CC1)CCN1C(CN(c1c(C(c(cc2)ccc2F)SC2)c(-c3cccs3)nn1-c1ccc(C)cc1)C2=O)=O)=O

InChI

InChI=1S/C31H30FN5O3S2/c1-20-5-11-24(12-6-20)37-31-28(29(33-37)25-4-3-17-41-25)30(22-7-9-23(32)10-8-22)42-19-27(40)36(31)18-26(39)35-15-13-34(14-16-35)21(2)38/h3-12,17,30H,13-16,18-19H2,1-2H3/t30-/m1/s1

InChI Key

MYKUWCGMBBMSGR-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD27626289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

603.74

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

4.651

Distribution Coefficient, logD

4.651

Water Solubility, LogSw

-4.28

Polar Surface Area

64.631

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.03

References: we are preparing a list of scientific research reports with V010-8864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8864?
Check Price and Availability of V010-8864, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V010-8864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8864
  • 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 V010-8864 available by request