4202-1549 Screening compound: 4-[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl propyl ether

4202-1549 Screening compound: 4-[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl propyl ether
4202-1549 Screening compound: 4-[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl propyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4202-1549
4-[9-bromo-2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl propyl 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

4202-1549

Molecular Formula

C26H25BrN2O3 (C26 H25 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(C(N(C2C3)N=C3c(cc3)ccc3OC)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C26H25BrN2O3/c1-3-14-31-21-11-6-18(7-12-21)26-29-24(22-15-19(27)8-13-25(22)32-26)16-23(28-29)17-4-9-20(30-2)10-5-17/h4-13,15,24,26H,3,14,16H2,1-2H3

InChI Key

MAYILYBVDFAONT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02994535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.003

Distribution Coefficient, logD

7.003

Water Solubility, LogSw

-5.86

Polar Surface Area

37.007

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 4202-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4202-1549?
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What is the minimum amount of 4202-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4202-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4202-1549
  • 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 4202-1549 available by request