D361-2712 Screening compound: 2-(2-ethoxy-4-{3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl}phenoxy)acetamide

D361-2712 Screening compound: 2-(2-ethoxy-4-{3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl}phenoxy)acetamide
D361-2712 Screening compound: 2-(2-ethoxy-4-{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 D361-2712
2-(2-ethoxy-4-{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

D361-2712

Molecular Formula

C17H20N4O4S (C17 H20 N4 O4 S)

Compound Name

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

SMILES

CCOc(cc(C(c(c(C)n[nH]1)c1N1)SCC1=O)cc1)c1OCC(N)=O

InChI

InChI=1S/C17H20N4O4S/c1-3-24-12-6-10(4-5-11(12)25-7-13(18)22)16-15-9(2)20-21-17(15)19-14(23)8-26-16/h4-6,16H,3,7-8H2,1-2H3,(H2,18,22)(H2,19,20,21,23)/t16-/m1/s1

InChI Key

NHDDPECZFALLOV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14825135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.395

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-2.30

Polar Surface Area

97.217

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D361-2712 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D361-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-2712?
Check Price and Availability of D361-2712, 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 D361-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-2712
  • 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 D361-2712 available by request