D731-0703 Screening compound: 9'-chloro-1-methyl-2'-(5-methyl-2-furyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

D731-0703 Screening compound: 9'-chloro-1-methyl-2'-(5-methyl-2-furyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
D731-0703 Screening compound: 9'-chloro-1-methyl-2'-(5-methyl-2-furyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0703
9'-chloro-1-methyl-2'-(5-methyl-2-furyl)-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

D731-0703

Molecular Formula

C20H22ClN3O2 (C20 H22 ClN3 O2)

Compound Name

9'-chloro-1-methyl-2'-(5-methyl-2-furyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

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

SMILES

Cc1ccc(C(CC23)=NN2C2(CCN(C)CC2)Oc(cc2)c3cc2Cl)o1

InChI

InChI=1S/C20H22ClN3O2/c1-13-3-5-19(25-13)16-12-17-15-11-14(21)4-6-18(15)26-20(24(17)22-16)7-9-23(2)10-8-20/h3-6,11,17H,7-10,12H2,1-2H3/t17-/m0/s1

InChI Key

PVQUUIHYNIBRRC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06640500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

2.541

Water Solubility, LogSw

-4.52

Polar Surface Area

32.421

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D731-0703 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 D731-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0703?
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What is the minimum amount of D731-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0703
  • 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 D731-0703 available by request