C753-0581 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic acid

C753-0581 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic acid
C753-0581 Screening compound: 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-0581
3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic 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

C753-0581

Molecular Formula

C20H26N2O2 (C20 H26 N2 O2)

Compound Name

3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic acid

IUPAC name

3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-ethyl-1H-indole-2-carboxylic acid

SMILES

CCn1c(C(O)=O)c(CNCCC2=CCCCC2)c2c1cccc2

InChI

InChI=1S/C20H26N2O2/c1-2-22-18-11-7-6-10-16(18)17(19(22)20(23)24)14-21-13-12-15-8-4-3-5-9-15/h6-8,10-11,21H,2-5,9,12-14H2,1H3,(H,23,24)

InChI Key

BYEWXIFUTFAEDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.229

Distribution Coefficient, logD

3.229

Water Solubility, LogSw

-3.26

Polar Surface Area

40.672

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

11.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C753-0581 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C753-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-0581?
Check Price and Availability of C753-0581, 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 C753-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-0581
  • 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 C753-0581 available by request