E957-0076 Screening compound: 4-(dimethylamino)-N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

E957-0076 Screening compound: 4-(dimethylamino)-N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
E957-0076 Screening compound: 4-(dimethylamino)-N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0076
4-(dimethylamino)-N-{2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

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

E957-0076

Molecular Formula

C28H27FN4O3 (C28 H27 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1C(Nc1c(C(N(CC2)CCN2c(cc2)ccc2F)=O)oc2c1cccc2)=O

InChI

InChI=1S/C28H27FN4O3/c1-31(2)21-11-7-19(8-12-21)27(34)30-25-23-5-3-4-6-24(23)36-26(25)28(35)33-17-15-32(16-18-33)22-13-9-20(29)10-14-22/h3-14H,15-18H2,1-2H3,(H,30,34)

InChI Key

WCRYZATTYKAVTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.20

Polar Surface Area

53.173

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E957-0076 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E957-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0076?
Check Price and Availability of E957-0076, 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 E957-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0076
  • 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 E957-0076 available by request