V027-4517 Screening compound: 1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

V027-4517 Screening compound: 1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
V027-4517 Screening compound: 1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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 V027-4517
1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

V027-4517

Molecular Formula

C30H26ClFN4O2S (C30 H26 ClFN4 O2 S)

Compound Name

1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

1-(2-chlorophenyl)-4-(4-fluorophenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

O=C(CN(c1c(C(c(cc2)ccc2F)SC2)c(-c3ccccc3)nn1-c(cccc1)c1Cl)C2=O)N1CCCC1

InChI

InChI=1S/C30H26ClFN4O2S/c31-23-10-4-5-11-24(23)36-30-27(28(33-36)20-8-2-1-3-9-20)29(21-12-14-22(32)15-13-21)39-19-26(38)35(30)18-25(37)34-16-6-7-17-34/h1-5,8-15,29H,6-7,16-19H2/t29-/m1/s1

InChI Key

VRXHMCQABYXJGG-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19799053

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-5.94

Polar Surface Area

46.482

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V027-4517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4517?
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What is the minimum amount of V027-4517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4517
  • 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 V027-4517 available by request