4138-0162 Screening compound: ethyl 3-butanamido-5-fluoro-1H-indole-2-carboxylate

4138-0162 Screening compound: ethyl 3-butanamido-5-fluoro-1H-indole-2-carboxylate
4138-0162 Screening compound: ethyl 3-butanamido-5-fluoro-1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4138-0162
ethyl 3-butanamido-5-fluoro-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

4138-0162

Molecular Formula

C15H17FN2O3 (C15 H17 FN2 O3)

Compound Name

ethyl 3-butanamido-5-fluoro-1H-indole-2-carboxylate

IUPAC name

ethyl 3-butanamido-5-fluoro-1H-indole-2-carboxylate

SMILES

CCCC(Nc1c(C(OCC)=O)[nH]c(cc2)c1cc2F)=O

InChI

InChI=1S/C15H17FN2O3/c1-3-5-12(19)18-13-10-8-9(16)6-7-11(10)17-14(13)15(20)21-4-2/h6-8,17H,3-5H2,1-2H3,(H,18,19)

InChI Key

JNEPAGCPDPIDSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.207

Water Solubility, LogSw

-2.88

Polar Surface Area

52.865

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4138-0162 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4138-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4138-0162?
Check Price and Availability of 4138-0162, 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 4138-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4138-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4138-0162
  • 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 4138-0162 available by request