4053-0198 Screening compound: 5-[4-(hexyloxy)phenyl]-9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4053-0198 Screening compound: 5-[4-(hexyloxy)phenyl]-9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4053-0198 Screening compound: 5-[4-(hexyloxy)phenyl]-9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4053-0198
5-[4-(hexyloxy)phenyl]-9-methoxy-2-(4-methoxyphenyl)-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

4053-0198

Molecular Formula

C30H34N2O4 (C30 H34 N2 O4)

Compound Name

5-[4-(hexyloxy)phenyl]-9-methoxy-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-[4-(hexyloxy)phenyl]-12-methoxy-4-(4-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CCCCCCOc1ccc(C(N(C2C3)N=C3c(cc3)ccc3OC)Oc(cc3)c2cc3OC)cc1

InChI

InChI=1S/C30H34N2O4/c1-4-5-6-7-18-35-24-14-10-22(11-15-24)30-32-28(26-19-25(34-3)16-17-29(26)36-30)20-27(31-32)21-8-12-23(33-2)13-9-21/h8-17,19,28,30H,4-7,18,20H2,1-3H3

InChI Key

OYFGZFXMJLQYQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02364542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.788

Distribution Coefficient, logD

7.788

Water Solubility, LogSw

-5.82

Polar Surface Area

44.551

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with 4053-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4053-0198?
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What is the minimum amount of 4053-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4053-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4053-0198
  • 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 4053-0198 available by request