D733-0714 Screening compound: 1-ethyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D733-0714 Screening compound: 1-ethyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D733-0714 Screening compound: 1-ethyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0714
1-ethyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

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

D733-0714

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

1-ethyl-7'-methoxy-2'-(2-thienyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

1-ethyl-10'-methoxy-4'-(thiophen-2-yl)-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

CCN(CC1)CCC1(N(C1C2)N=C2c2cccs2)Oc2c1cccc2OC

InChI

InChI=1S/C21H25N3O2S/c1-3-23-11-9-21(10-12-23)24-17(14-16(22-24)19-8-5-13-27-19)15-6-4-7-18(25-2)20(15)26-21/h4-8,13,17H,3,9-12,14H2,1-2H3/t17-/m1/s1

InChI Key

DKOOXMZRSVJDEJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04005582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-4.24

Polar Surface Area

32.722

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

D733-0714 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D733-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0714?
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What is the minimum amount of D733-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0714
  • 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 D733-0714 available by request