D733-0595 Screening compound: 2-(9'-bromo-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

D733-0595 Screening compound: 2-(9'-bromo-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
D733-0595 Screening compound: 2-(9'-bromo-1-methyl-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 D733-0595
2-(9'-bromo-1-methyl-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

D733-0595

Molecular Formula

C21H22BrN3O2 (C21 H22 BrN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCC1(N(C1C2)N=C2c(cccc2)c2O)Oc(cc2)c1cc2Br

InChI

InChI=1S/C21H22BrN3O2/c1-24-10-8-21(9-11-24)25-18(16-12-14(22)6-7-20(16)27-21)13-17(23-25)15-4-2-3-5-19(15)26/h2-7,12,18,26H,8-11,13H2,1H3/t18-/m0/s1

InChI Key

VRRWGIXZYYGJBR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07807006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.96

Polar Surface Area

40.877

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

D733-0595 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D733-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D733-0595?
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What is the minimum amount of D733-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D733-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D733-0595
  • 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 D733-0595 available by request