6835-5709 Screening compound: 9'-chloro-4-methyl-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

6835-5709 Screening compound: 9'-chloro-4-methyl-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
6835-5709 Screening compound: 9'-chloro-4-methyl-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5709
9'-chloro-4-methyl-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-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

6835-5709

Molecular Formula

C22H23ClN2O (C22 H23 ClN2 O)

Compound Name

9'-chloro-4-methyl-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

12'-chloro-4-methyl-4'-phenyl-8'-oxa-5'6'-diazaspiro[cyclohexane-17'-tricyclo[7.4.0.0^{26}]tridecane]-1'(9')4'10'12'-tetraene

SMILES

CC(CC1)CCC1(N(C1C2)N=C2c2ccccc2)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C22H23ClN2O/c1-15-9-11-22(12-10-15)25-20(18-13-17(23)7-8-21(18)26-22)14-19(24-25)16-5-3-2-4-6-16/h2-8,13,15,20H,9-12,14H2,1H3/t15?,20-,22?/m0/s1

InChI Key

ZANPOYAXSSKGTP-BGWLNWIQSA-N

MDL Number (MFCD)

MFCD03681329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.365

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-6.34

Polar Surface Area

20.852

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

6835-5709 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6835-5709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5709?
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What is the minimum amount of 6835-5709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5709
  • 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 6835-5709 available by request