6835-5710 Screening compound: 9'-bromo-2'-(4-methoxyphenyl)-4-methyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

6835-5710 Screening compound: 9'-bromo-2'-(4-methoxyphenyl)-4-methyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
6835-5710 Screening compound: 9'-bromo-2'-(4-methoxyphenyl)-4-methyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5710
9'-bromo-2'-(4-methoxyphenyl)-4-methyl-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

6835-5710

Molecular Formula

C23H25BrN2O2 (C23 H25 BrN2 O2)

Compound Name

9'-bromo-2'-(4-methoxyphenyl)-4-methyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

IUPAC name

12'-bromo-4'-(4-methoxyphenyl)-4-methyl-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=C2c(cc2)ccc2OC)Oc(cc2)c1cc2Br

InChI

InChI=1S/C23H25BrN2O2/c1-15-9-11-23(12-10-15)26-21(19-13-17(24)5-8-22(19)28-23)14-20(25-26)16-3-6-18(27-2)7-4-16/h3-8,13,15,21H,9-12,14H2,1-2H3/t15?,21-,23?/m0/s1

InChI Key

OMEZZWUWVCNFRC-UDOFLQGHSA-N

MDL Number (MFCD)

MFCD03683245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.580

Water Solubility, LogSw

-5.87

Polar Surface Area

28.396

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

6835-5710 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6835-5710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5710?
Check Price and Availability of 6835-5710, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6835-5710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5710
  • 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 6835-5710 available by request