V009-5021 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

V009-5021 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
V009-5021 Screening compound: 2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5021
2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

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

V009-5021

Molecular Formula

C31H31FN4O4S (C31 H31 FN4 O4 S)

Compound Name

2-[4-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide

IUPAC name

2-[4-(25-dimethoxyphenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-propylacetamide

SMILES

CCCNC(CN(c1c(C(c(cc(cc2)OC)c2OC)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C31H31FN4O4S/c1-4-16-33-26(37)18-35-27(38)19-41-30(24-17-23(39-2)14-15-25(24)40-3)28-29(20-8-6-5-7-9-20)34-36(31(28)35)22-12-10-21(32)11-13-22/h5-15,17,30H,4,16,18-19H2,1-3H3,(H,33,37)/t30-/m1/s1

InChI Key

QCPIQWNFECITTE-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19793263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.373

Water Solubility, LogSw

-5.32

Polar Surface Area

69.783

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

References: we are preparing a list of scientific research reports with V009-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5021?
Check Price and Availability of V009-5021, 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 V009-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5021
  • 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 V009-5021 available by request