D715-2702 Screening compound: 4-{8-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-4-oxobutanoic acid

D715-2702 Screening compound: 4-{8-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-4-oxobutanoic acid
D715-2702 Screening compound: 4-{8-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-2702
4-{8-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-4-oxobutanoic acid

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

D715-2702

Molecular Formula

C15H15FN2O3 (C15 H15 FN2 O3)

Compound Name

4-{8-fluoro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-4-oxobutanoic acid

IUPAC name

4-{8-fluoro-1H2H3H4H5H-pyrido[43-b]indol-2-yl}-4-oxobutanoic acid

SMILES

OC(CCC(N(CC1)Cc2c1[nH]c(cc1)c2cc1F)=O)=O

InChI

InChI=1S/C15H15FN2O3/c16-9-1-2-12-10(7-9)11-8-18(6-5-13(11)17-12)14(19)3-4-15(20)21/h1-2,7,17H,3-6,8H2,(H,20,21)

InChI Key

GWDHTWPOUFAYOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11868232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.739

Distribution Coefficient, logD

-2.210

Water Solubility, LogSw

-1.97

Polar Surface Area

55.527

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D715-2702 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Arginase Targeted Library (2009 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-2702?
Check Price and Availability of D715-2702, 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 D715-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-2702
  • 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 D715-2702 available by request