8016-0118 Screening compound: 9-bromo-5-(4-chlorophenyl)-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

8016-0118 Screening compound: 9-bromo-5-(4-chlorophenyl)-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
8016-0118 Screening compound: 9-bromo-5-(4-chlorophenyl)-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0118
9-bromo-5-(4-chlorophenyl)-2-(2-furyl)-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

8016-0118

Molecular Formula

C20H14BrClN2O2 (C20 H14 BrClN2 O2)

Compound Name

9-bromo-5-(4-chlorophenyl)-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

12-bromo-7-(4-chlorophenyl)-4-(furan-2-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Clc1ccc(C(N(C2C3)N=C3c3ccco3)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C20H14BrClN2O2/c21-13-5-8-18-15(10-13)17-11-16(19-2-1-9-25-19)23-24(17)20(26-18)12-3-6-14(22)7-4-12/h1-10,17,20H,11H2

InChI Key

IDRFIYHBCPGZLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02668520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-6.37

Polar Surface Area

30.624

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8016-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0118?
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What is the minimum amount of 8016-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0118
  • 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 8016-0118 available by request