D291-0945 Screening compound: 5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide

D291-0945 Screening compound: 5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide
D291-0945 Screening compound: 5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-0945
5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide

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

D291-0945

Molecular Formula

C19H18N2O2 (C19 H18 N2 O2)

Compound Name

5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide

IUPAC name

5-methyl-N-[4-(prop-2-en-1-yloxy)phenyl]-1H-indole-2-carboxamide

SMILES

Cc(cc1)cc2c1[nH]c(C(Nc(cc1)ccc1OCC=C)=O)c2

InChI

InChI=1S/C19H18N2O2/c1-3-10-23-16-7-5-15(6-8-16)20-19(22)18-12-14-11-13(2)4-9-17(14)21-18/h3-9,11-12,21H,1,10H2,2H3,(H,20,22)

InChI Key

NSCRCGIHMHLPLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.747

Water Solubility, LogSw

-4.70

Polar Surface Area

40.096

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D291-0945 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D291-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-0945?
Check Price and Availability of D291-0945, 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 D291-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-0945
  • 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 D291-0945 available by request