K805-0731 Screening compound: 3-[9-chloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,6-dimethoxyphenyl methyl ether

K805-0731 Screening compound: 3-[9-chloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,6-dimethoxyphenyl methyl ether
K805-0731 Screening compound: 3-[9-chloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,6-dimethoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0731
3-[9-chloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,6-dimethoxyphenyl 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

K805-0731

Molecular Formula

C23H21ClN2O4S (C23 H21 ClN2 O4 S)

Compound Name

3-[9-chloro-2-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,6-dimethoxyphenyl methyl ether

IUPAC name

12-chloro-4-(thiophen-2-yl)-7-(234-trimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc(ccc(C(N(C1C2)N=C2c2cccs2)Oc(cc2)c1cc2Cl)c1OC)c1OC

InChI

InChI=1S/C23H21ClN2O4S/c1-27-19-9-7-14(21(28-2)22(19)29-3)23-26-17(12-16(25-26)20-5-4-10-31-20)15-11-13(24)6-8-18(15)30-23/h4-11,17,23H,12H2,1-3H3

InChI Key

OIOJIFFFYFYUJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.99

Polar Surface Area

46.129

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with K805-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0731?
Check Price and Availability of K805-0731, 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 K805-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0731
  • 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 K805-0731 available by request