8016-0948 Screening compound: 4-[7,9-dibromo-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

8016-0948 Screening compound: 4-[7,9-dibromo-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
8016-0948 Screening compound: 4-[7,9-dibromo-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0948
4-[7,9-dibromo-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-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

8016-0948

Molecular Formula

C23H17Br2ClN2O2 (C23 H17 Br2 ClN2 O2)

Compound Name

4-[7,9-dibromo-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

IUPAC name

1012-dibromo-4-(4-chlorophenyl)-7-(4-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc1ccc(C(N(C(C2)c3cc(Br)c4)N=C2c(cc2)ccc2Cl)Oc3c4Br)cc1

InChI

InChI=1S/C23H17Br2ClN2O2/c1-29-17-8-4-14(5-9-17)23-28-21(18-10-15(24)11-19(25)22(18)30-23)12-20(27-28)13-2-6-16(26)7-3-13/h2-11,21,23H,12H2,1H3

InChI Key

SWLASKIKAOHRFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.510

Distribution Coefficient, logD

7.510

Water Solubility, LogSw

-6.77

Polar Surface Area

29.274

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.39

References: we are preparing a list of scientific research reports with 8016-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0948?
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What is the minimum amount of 8016-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0948
  • 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 8016-0948 available by request