2545-0192 Screening compound: 9'-chloro-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]

2545-0192 Screening compound: 9'-chloro-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
2545-0192 Screening compound: 9'-chloro-2'-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0192
9'-chloro-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

2545-0192

Molecular Formula

C21H21ClN2O (C21 H21 ClN2 O)

Compound Name

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

IUPAC name

12'-chloro-4'-phenyl-8'-oxa-5'6'-diazaspiro[cyclohexane-17'-tricyclo[7.4.0.0^{26}]tridecane]-1'(13')4'9'11'-tetraene

SMILES

Clc(cc1)cc(C2C3)c1OC1(CCCCC1)N2N=C3c1ccccc1

InChI

InChI=1S/C21H21ClN2O/c22-16-9-10-20-17(13-16)19-14-18(15-7-3-1-4-8-15)23-24(19)21(25-20)11-5-2-6-12-21/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2/t19-/m0/s1

InChI Key

UPBAHCYVALVGQQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01542494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.86

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

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-6.11

Polar Surface Area

20.852

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

2545-0192 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2545-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0192?
Check Price and Availability of 2545-0192, 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 2545-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0192
  • 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 2545-0192 available by request