D733-0622 Screening compound: 4-(9'-chloro-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

D733-0622 Screening compound: 4-(9'-chloro-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
D733-0622 Screening compound: 4-(9'-chloro-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D733-0622
4-(9'-chloro-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

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

D733-0622

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

4-(9'-chloro-1-ethyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

IUPAC name

4-{12'-chloro-1-ethyl-8'-oxa-5'6'-diazaspiro[piperidine-47'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraen-4'-yl}phenol

SMILES

CCN(CC1)CCC1(N(C1C2)N=C2c(cc2)ccc2O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C22H24ClN3O2/c1-2-25-11-9-22(10-12-25)26-20(18-13-16(23)5-8-21(18)28-22)14-19(24-26)15-3-6-17(27)7-4-15/h3-8,13,20,27H,2,9-12,14H2,1H3/t20-/m0/s1

InChI Key

CBNXJPFWPLPVTI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07807034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-4.39

Polar Surface Area

42.006

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D733-0622 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D733-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0622?
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What is the minimum amount of D733-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0622
  • 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 D733-0622 available by request