D715-1767 Screening compound: 8-fluoro-2-(3,4,5-trimethoxybenzoyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

D715-1767 Screening compound: 8-fluoro-2-(3,4,5-trimethoxybenzoyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole
D715-1767 Screening compound: 8-fluoro-2-(3,4,5-trimethoxybenzoyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1767
8-fluoro-2-(3,4,5-trimethoxybenzoyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

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

D715-1767

Molecular Formula

C21H21FN2O4 (C21 H21 FN2 O4)

Compound Name

8-fluoro-2-(3,4,5-trimethoxybenzoyl)-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

IUPAC name

8-fluoro-2-(345-trimethoxybenzoyl)-1H2H3H4H5H-pyrido[43-b]indole

SMILES

COc1cc(C(N(CC2)Cc3c2[nH]c(cc2)c3cc2F)=O)cc(OC)c1OC

InChI

InChI=1S/C21H21FN2O4/c1-26-18-8-12(9-19(27-2)20(18)28-3)21(25)24-7-6-17-15(11-24)14-10-13(22)4-5-16(14)23-17/h4-5,8-10,23H,6-7,11H2,1-3H3

InChI Key

PJKYMOULVPJUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.385

Distribution Coefficient, logD

2.385

Water Solubility, LogSw

-3.04

Polar Surface Area

50.376

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D715-1767 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D715-1767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1767?
Check Price and Availability of D715-1767, 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 D715-1767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1767
  • 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 D715-1767 available by request