V010-8876 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-chlorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V010-8876 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-chlorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V010-8876 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-chlorophenyl)-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 V010-8876
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-chlorophenyl)-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

V010-8876

Molecular Formula

C31H30ClN5O3S2 (C31 H30 ClN5 O3 S2)

Compound Name

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

SMILES

CC(N(CC1)CCN1C(CN(c1c(C(c2cccc(Cl)c2)SC2)c(-c3cccs3)nn1-c1ccc(C)cc1)C2=O)=O)=O

InChI

InChI=1S/C31H30ClN5O3S2/c1-20-8-10-24(11-9-20)37-31-28(29(33-37)25-7-4-16-41-25)30(22-5-3-6-23(32)17-22)42-19-27(40)36(31)18-26(39)35-14-12-34(13-15-35)21(2)38/h3-11,16-17,30H,12-15,18-19H2,1-2H3/t30-/m1/s1

InChI Key

QDSZRLPLMRJVCC-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD27626290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

620.2

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

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.62

Polar Surface Area

64.631

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

V010-8876 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-8876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8876?
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What is the minimum amount of V010-8876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8876
  • 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 V010-8876 available by request