K805-0088 Screening compound: methyl 4-[7-ethoxy-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

K805-0088 Screening compound: methyl 4-[7-ethoxy-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
K805-0088 Screening compound: methyl 4-[7-ethoxy-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0088
methyl 4-[7-ethoxy-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

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

K805-0088

Molecular Formula

C27H26N2O5 (C27 H26 N2 O5)

Compound Name

methyl 4-[7-ethoxy-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate

IUPAC name

methyl 4-[10-ethoxy-4-(3-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraen-7-yl]benzoate

SMILES

CCOc(cccc1C2C3)c1OC(c(cc1)ccc1C(OC)=O)N2N=C3c1cc(OC)ccc1

InChI

InChI=1S/C27H26N2O5/c1-4-33-24-10-6-9-21-23-16-22(19-7-5-8-20(15-19)31-2)28-29(23)26(34-25(21)24)17-11-13-18(14-12-17)27(30)32-3/h5-15,23,26H,4,16H2,1-3H3

InChI Key

ZEYUXIUTLKEMRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-5.58

Polar Surface Area

57.658

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K805-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0088?
Check Price and Availability of K805-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K805-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0088
  • 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 K805-0088 available by request