V019-5125 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

V019-5125 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
V019-5125 Screening compound: 2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5125
2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

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

V019-5125

Molecular Formula

C30H31FN4O3S (C30 H31 FN4 O3 S)

Compound Name

2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-[3-tert-butyl-4-(4-fluorophenyl)-1-(2-methylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

CC(C)(C)c(c(C(c(cc1)ccc1F)SC1)c2N(CC(NCc3ccco3)=O)C1=O)nn2-c1c(C)cccc1

InChI

InChI=1S/C30H31FN4O3S/c1-19-8-5-6-10-23(19)35-29-26(28(33-35)30(2,3)4)27(20-11-13-21(31)14-12-20)39-18-25(37)34(29)17-24(36)32-16-22-9-7-15-38-22/h5-15,27H,16-18H2,1-4H3,(H,32,36)/t27-/m1/s1

InChI Key

BWOHNHUOVMWKMM-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19789449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.308

Distribution Coefficient, logD

6.308

Water Solubility, LogSw

-5.54

Polar Surface Area

62.216

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V019-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5125?
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What is the minimum amount of V019-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5125
  • 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 V019-5125 available by request