D715-1498 Screening compound: trans-4-({[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

D715-1498 Screening compound: trans-4-({[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid
D715-1498 Screening compound: trans-4-({[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-1498
trans-4-({[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic 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

D715-1498

Molecular Formula

C19H23FN2O3 (C19 H23 FN2 O3)

Compound Name

trans-4-({[3-(6-fluoro-1H-indol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid

IUPAC name

n/a

SMILES

OC([C@H]1CC[C@H](CNC(CCn(cc2)c3c2ccc(F)c3)=O)CC1)=O

InChI

InChI=1S/C19H23FN2O3/c20-16-6-5-14-7-9-22(17(14)11-16)10-8-18(23)21-12-13-1-3-15(4-2-13)19(24)25/h5-7,9,11,13,15H,1-4,8,10,12H2,(H,21,23)(H,24,25)

InChI Key

RKAOJFBSWBMDQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.4

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

2.608

Distribution Coefficient, logD

0.047

Water Solubility, LogSw

-2.86

Polar Surface Area

55.128

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

D715-1498 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D715-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-1498?
Check Price and Availability of D715-1498, 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 D715-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-1498
  • 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 D715-1498 available by request