4202-1551 Screening compound: 4-[9-bromo-5-(4-butoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

4202-1551 Screening compound: 4-[9-bromo-5-(4-butoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether
4202-1551 Screening compound: 4-[9-bromo-5-(4-butoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4202-1551
4-[9-bromo-5-(4-butoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl 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

4202-1551

Molecular Formula

C27H27BrN2O3 (C27 H27 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(C(N(C2C3)N=C3c(cc3)ccc3OC)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C27H27BrN2O3/c1-3-4-15-32-22-12-7-19(8-13-22)27-30-25(23-16-20(28)9-14-26(23)33-27)17-24(29-30)18-5-10-21(31-2)11-6-18/h5-14,16,25,27H,3-4,15,17H2,1-2H3

InChI Key

WUTQZPUVBCBFEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02987173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.476

Distribution Coefficient, logD

7.476

Water Solubility, LogSw

-5.77

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

29.60

References: we are preparing a list of scientific research reports with 4202-1551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4202-1551?
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What is the minimum amount of 4202-1551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4202-1551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4202-1551
  • 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 4202-1551 available by request