4053-0183 Screening compound: 5-(4-isopropylphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-9-yl methyl ether

4053-0183 Screening compound: 5-(4-isopropylphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-9-yl methyl ether
4053-0183 Screening compound: 5-(4-isopropylphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-9-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4053-0183
5-(4-isopropylphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-9-yl methyl ether

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

4053-0183

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

5-(4-isopropylphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-9-yl methyl ether

IUPAC name

12-methoxy-4-phenyl-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=C3c3ccccc3)Oc(cc3)c2cc3OC)cc1

InChI

InChI=1S/C26H26N2O2/c1-17(2)18-9-11-20(12-10-18)26-28-24(16-23(27-28)19-7-5-4-6-8-19)22-15-21(29-3)13-14-25(22)30-26/h4-15,17,24,26H,16H2,1-3H3

InChI Key

AKWROQDNNUAPQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02364529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.560

Distribution Coefficient, logD

6.560

Water Solubility, LogSw

-5.91

Polar Surface Area

29.590

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

4053-0183 in Drug Discovery

Included in Screening Libraries

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 4053-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4053-0183?
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What is the minimum amount of 4053-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4053-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4053-0183
  • 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 4053-0183 available by request