E002-2401 Screening compound: N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2,4-dimethoxybenzamide

E002-2401 Screening compound: N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2,4-dimethoxybenzamide
E002-2401 Screening compound: N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2401
N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2,4-dimethoxybenzamide

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

E002-2401

Molecular Formula

C28H26FN3O5 (C28 H26 FN3 O5)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-2,4-dimethoxybenzamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-24-dimethoxybenzamide

SMILES

COc(cc1)cc(OC)c1C(Nc1c(C(N(CC2)CCN2c(cccc2)c2F)=O)oc2c1cccc2)=O

InChI

InChI=1S/C28H26FN3O5/c1-35-18-11-12-20(24(17-18)36-2)27(33)30-25-19-7-3-6-10-23(19)37-26(25)28(34)32-15-13-31(14-16-32)22-9-5-4-8-21(22)29/h3-12,17H,13-16H2,1-2H3,(H,30,33)

InChI Key

RMJURBSZNBMORN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-4.28

Polar Surface Area

65.242

Acid Dissociation Constant (pKa)

6.20

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E002-2401 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 E002-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2401?
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What is the minimum amount of E002-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2401
  • 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 E002-2401 available by request