8017-3545 Screening compound: 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

8017-3545 Screening compound: 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde
8017-3545 Screening compound: 1-benzyl-5-fluoro-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3545
1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

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

8017-3545

Molecular Formula

C16H12FNO (C16 H12 FNO)

Compound Name

1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

IUPAC name

1-benzyl-5-fluoro-1H-indole-3-carbaldehyde

SMILES

O=Cc1cn(Cc2ccccc2)c(cc2)c1cc2F

InChI

InChI=1S/C16H12FNO/c17-14-6-7-16-15(8-14)13(11-19)10-18(16)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2

InChI Key

FEPHWPUFEZSGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.50

Polar Surface Area

16.130

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8017-3545 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-3545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3545?
Check Price and Availability of 8017-3545, 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 8017-3545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3545
  • 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 8017-3545 available by request