V027-9448 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2H-1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V027-9448 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2H-1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V027-9448 Screening compound: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2H-1,3-benzodioxol-5-yl)-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 V027-9448
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2H-1,3-benzodioxol-5-yl)-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

V027-9448

Molecular Formula

C34H33N5O5S (C34 H33 N5 O5 S)

Compound Name

8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2H-1,3-benzodioxol-5-yl)-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-(2H-13-benzodioxol-5-yl)-1-(3-methylphenyl)-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CC(N(CC1)CCN1C(CN(c1c(C(c(cc2)cc3c2OCO3)SC2)c(-c3ccccc3)nn1-c1cc(C)ccc1)C2=O)=O)=O

InChI

InChI=1S/C34H33N5O5S/c1-22-7-6-10-26(17-22)39-34-31(32(35-39)24-8-4-3-5-9-24)33(25-11-12-27-28(18-25)44-21-43-27)45-20-30(42)38(34)19-29(41)37-15-13-36(14-16-37)23(2)40/h3-12,17-18,33H,13-16,19-21H2,1-2H3/t33-/m1/s1

InChI Key

PPOZHKROCASJTL-MGBGTMOVSA-N

MDL Number (MFCD)

MFCD19795623

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

623.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.586

Distribution Coefficient, logD

4.586

Water Solubility, LogSw

-4.41

Polar Surface Area

80.728

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with V027-9448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9448?
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What is the minimum amount of V027-9448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9448
  • 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 V027-9448 available by request