D380-0442 Screening compound: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

D380-0442 Screening compound: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
D380-0442 Screening compound: N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0442
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-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

D380-0442

Molecular Formula

C24H24N2O3S (C24 H24 N2 O3 S)

Compound Name

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

IUPAC name

N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

SMILES

CCOc(ccc(C(CNC(c1cccs1)=O)c1c[nH]c2c1cccc2)c1)c1OC

InChI

InChI=1S/C24H24N2O3S/c1-3-29-21-11-10-16(13-22(21)28-2)18(14-26-24(27)23-9-6-12-30-23)19-15-25-20-8-5-4-7-17(19)20/h4-13,15,18,25H,3,14H2,1-2H3,(H,26,27)/t18-/m1/s1

InChI Key

SVTUTNKMUDRAQU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12914660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.33

Polar Surface Area

50.110

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D380-0442 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 D380-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0442?
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What is the minimum amount of D380-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0442
  • 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 D380-0442 available by request