3168-0211 Screening compound: 2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3168-0211 Screening compound: 2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3168-0211 Screening compound: 2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0211
2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[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

3168-0211

Molecular Formula

C25H23ClN2O (C25 H23 ClN2 O)

Compound Name

2-(4-chlorophenyl)-5-(4-isopropylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

4-(4-chlorophenyl)-7-[4-(propan-2-yl)phenyl]-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CC(C)c1ccc(C(N(C2C3)N=C3c(cc3)ccc3Cl)Oc3c2cccc3)cc1

InChI

InChI=1S/C25H23ClN2O/c1-16(2)17-7-9-19(10-8-17)25-28-23(21-5-3-4-6-24(21)29-25)15-22(27-28)18-11-13-20(26)14-12-18/h3-14,16,23,25H,15H2,1-2H3

InChI Key

HCDSGQYVRHRGLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.223

Distribution Coefficient, logD

7.223

Water Solubility, LogSw

-6.79

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

3168-0211 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3168-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0211?
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What is the minimum amount of 3168-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0211
  • 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 3168-0211 available by request