7896-0029 Screening compound: 2-[5-(4-hydroxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

7896-0029 Screening compound: 2-[5-(4-hydroxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
7896-0029 Screening compound: 2-[5-(4-hydroxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0029
2-[5-(4-hydroxyphenyl)-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

7896-0029

Molecular Formula

C22H18N2O3 (C22 H18 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(C(N(C2C3)N=C3c(cccc3)c3O)Oc3c2cccc3)cc1

InChI

InChI=1S/C22H18N2O3/c25-15-11-9-14(10-12-15)22-24-19(17-6-2-4-8-21(17)27-22)13-18(23-24)16-5-1-3-7-20(16)26/h1-12,19,22,25-26H,13H2

InChI Key

YJSYETDDNGRBCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.19

Polar Surface Area

56.211

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

7896-0029 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7896-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0029?
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What is the minimum amount of 7896-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0029
  • 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 7896-0029 available by request