V009-5033 Screening compound: 2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

V009-5033 Screening compound: 2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide
V009-5033 Screening compound: 2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5033
2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)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

V009-5033

Molecular Formula

C29H26ClFN4O3S (C29 H26 ClFN4 O3 S)

Compound Name

2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

IUPAC name

2-[4-(3-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-3-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-8-yl]-N-(2-methoxyethyl)acetamide

SMILES

COCCNC(CN(c1c(C(c2cccc(Cl)c2)SC2)c(-c3ccccc3)nn1-c(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C29H26ClFN4O3S/c1-38-15-14-32-24(36)17-34-25(37)18-39-28(20-8-5-9-21(30)16-20)26-27(19-6-3-2-4-7-19)33-35(29(26)34)23-12-10-22(31)11-13-23/h2-13,16,28H,14-15,17-18H2,1H3,(H,32,36)/t28-/m1/s1

InChI Key

BNGQWHMCPQCLID-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19789336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.105

Water Solubility, LogSw

-5.49

Polar Surface Area

62.952

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

References: we are preparing a list of scientific research reports with V009-5033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5033?
Check Price and Availability of V009-5033, 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 V009-5033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5033
  • 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 V009-5033 available by request