D391-1016 Screening compound: N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

D391-1016 Screening compound: N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
D391-1016 Screening compound: N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-3,4,5-trimethoxy-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D391-1016
N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

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

D391-1016

Molecular Formula

C24H24N2O4S (C24 H24 N2 O4 S)

Compound Name

N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

IUPAC name

N-[(1H-indol-3-yl)(thiophen-2-yl)methyl]-345-trimethoxy-N-methylbenzamide

SMILES

CN(C(c1c[nH]c2c1cccc2)c1cccs1)C(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C24H24N2O4S/c1-26(24(27)15-12-19(28-2)23(30-4)20(13-15)29-3)22(21-10-7-11-31-21)17-14-25-18-9-6-5-8-16(17)18/h5-14,22,25H,1-4H3/t22-/m0/s1

InChI Key

NXOJMVJWZGEDQJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12921510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.138

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.33

Polar Surface Area

48.776

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D391-1016 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D391-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D391-1016?
Check Price and Availability of D391-1016, 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 D391-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D391-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D391-1016
  • 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 D391-1016 available by request