D302-0497 Screening compound: 2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide

D302-0497 Screening compound: 2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
D302-0497 Screening compound: 2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D302-0497
2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}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

D302-0497

Molecular Formula

C24H26N4O5S (C24 H26 N4 O5 S)

Compound Name

2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide

IUPAC name

2-{2-ethoxy-4-[1-(4-methoxyphenyl)-3-methyl-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-4-yl]phenoxy}acetamide

SMILES

CCOc(cc(C(c1c(N2)n(-c(cc3)ccc3OC)nc1C)SCC2=O)cc1)c1OCC(N)=O

InChI

InChI=1S/C24H26N4O5S/c1-4-32-19-11-15(5-10-18(19)33-12-20(25)29)23-22-14(2)27-28(24(22)26-21(30)13-34-23)16-6-8-17(31-3)9-7-16/h5-11,23H,4,12-13H2,1-3H3,(H2,25,29)(H,26,30)/t23-/m1/s1

InChI Key

NHSPEQWYLGXCSF-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14817768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

1.965

Water Solubility, LogSw

-2.82

Polar Surface Area

95.150

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D302-0497 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D302-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D302-0497?
Check Price and Availability of D302-0497, 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 D302-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D302-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D302-0497
  • 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 D302-0497 available by request