F090-2271 Screening compound: ethyl 5-fluoro-3-[2-(6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamido]-1H-indole-2-carboxylate

F090-2271 Screening compound: ethyl 5-fluoro-3-[2-(6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamido]-1H-indole-2-carboxylate
F090-2271 Screening compound: ethyl 5-fluoro-3-[2-(6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamido]-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F090-2271
ethyl 5-fluoro-3-[2-(6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamido]-1H-indole-2-carboxylate

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

F090-2271

Molecular Formula

C24H26FN3O5 (C24 H26 FN3 O5)

Compound Name

ethyl 5-fluoro-3-[2-(6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)acetamido]-1H-indole-2-carboxylate

IUPAC name

ethyl 5-fluoro-3-{2-[(1S)-6-hydroxy-7-methoxy-1-methyl-1234-tetrahydroisoquinolin-2-yl]acetamido}-1H-indole-2-carboxylate

SMILES

CCOC(c([nH]c(cc1)c2cc1F)c2NC(CN(CC1)C(C)c(cc2OC)c1cc2O)=O)=O

InChI

InChI=1S/C24H26FN3O5/c1-4-33-24(31)23-22(17-10-15(25)5-6-18(17)26-23)27-21(30)12-28-8-7-14-9-19(29)20(32-3)11-16(14)13(28)2/h5-6,9-11,13,26,29H,4,7-8,12H2,1-3H3,(H,27,30)/t13-/m0/s1

InChI Key

FDIBRKPSTFBOJU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03006092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-2.95

Polar Surface Area

79.779

Acid Dissociation Constant (pKa)

6.57

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F090-2271 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F090-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F090-2271?
Check Price and Availability of F090-2271, 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 F090-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F090-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F090-2271
  • 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 F090-2271 available by request