8539-0660 Screening compound: 6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

8539-0660 Screening compound: 6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
8539-0660 Screening compound: 6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8539-0660
6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

8539-0660

Molecular Formula

C27H19ClN2O4 (C27 H19 ClN2 O4)

Compound Name

6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridin-2-yl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-[9-chloro-4-(4-methoxyphenyl)-5H-chromeno[43-b]pyridin-2-yl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

COc(cc1)ccc1-c1c(COc(cc2)c-3cc2Cl)c3nc(-c(cc2)cc(N3)c2OCC3=O)c1

InChI

InChI=1S/C27H19ClN2O4/c1-32-18-6-2-15(3-7-18)19-12-22(16-4-8-25-23(10-16)29-26(31)14-34-25)30-27-20-11-17(28)5-9-24(20)33-13-21(19)27/h2-12H,13-14H2,1H3,(H,29,31)

InChI Key

QVYSUDBKXSEHLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08279004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

6.194

Water Solubility, LogSw

-6.16

Polar Surface Area

58.085

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 8539-0660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8539-0660?
Check Price and Availability of 8539-0660, 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 8539-0660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8539-0660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8539-0660
  • 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 8539-0660 available by request