5897-0200 Screening compound: 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

5897-0200 Screening compound: 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
5897-0200 Screening compound: 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5897-0200
4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-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

5897-0200

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc(c(C(c(cc1)cc(COC)c1OC)SC1)c2NC1=O)nn2-c1ccccc1

InChI

InChI=1S/C22H23N3O3S/c1-14-20-21(15-9-10-18(28-3)16(11-15)12-27-2)29-13-19(26)23-22(20)25(24-14)17-7-5-4-6-8-17/h4-11,21H,12-13H2,1-3H3,(H,23,26)/t21-/m1/s1

InChI Key

KFYSRHWBSUJCSP-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03632836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.44

Polar Surface Area

55.476

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5897-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5897-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5897-0200?
Check Price and Availability of 5897-0200, 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 5897-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5897-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5897-0200
  • 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 5897-0200 available by request