D380-0413 Screening compound: 5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

D380-0413 Screening compound: 5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
D380-0413 Screening compound: 5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D380-0413
5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-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

D380-0413

Molecular Formula

C27H23FN2O3 (C27 H23 FN2 O3)

Compound Name

5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c2c[nH]c3c2cccc3)c(cc2)ccc2OC)=O)oc(cc2)c1cc2F

InChI

InChI=1S/C27H23FN2O3/c1-16-21-13-18(28)9-12-25(21)33-26(16)27(31)30-14-22(17-7-10-19(32-2)11-8-17)23-15-29-24-6-4-3-5-20(23)24/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1

InChI Key

NDNRKELFJPAHKD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD12919402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.797

Distribution Coefficient, logD

5.797

Water Solubility, LogSw

-5.83

Polar Surface Area

50.321

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

D380-0413 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D380-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D380-0413?
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What is the minimum amount of D380-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D380-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D380-0413
  • 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 D380-0413 available by request