7896-0068 Screening compound: 2-[9-chloro-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

7896-0068 Screening compound: 2-[9-chloro-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
7896-0068 Screening compound: 2-[9-chloro-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0068
2-[9-chloro-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

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

7896-0068

Molecular Formula

C25H23ClN2O5 (C25 H23 ClN2 O5)

Compound Name

2-[9-chloro-5-(3,4,5-trimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

IUPAC name

2-[12-chloro-7-(345-trimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl]phenol

SMILES

COc1cc(C(N(C2C3)N=C3c(cccc3)c3O)Oc(cc3)c2cc3Cl)cc(OC)c1OC

InChI

InChI=1S/C25H23ClN2O5/c1-30-22-10-14(11-23(31-2)24(22)32-3)25-28-19(17-12-15(26)8-9-21(17)33-25)13-18(27-28)16-6-4-5-7-20(16)29/h4-12,19,25,29H,13H2,1-3H3

InChI Key

GPJNRRHZVZVTMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.800

Distribution Coefficient, logD

5.797

Water Solubility, LogSw

-5.77

Polar Surface Area

61.572

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 7896-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0068?
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What is the minimum amount of 7896-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0068
  • 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 7896-0068 available by request