E002-2554 Screening compound: N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide

E002-2554 Screening compound: N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide
E002-2554 Screening compound: N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2554
N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide

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

E002-2554

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide

IUPAC name

N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-3-methylbutanamide

SMILES

CC(C)CC(Nc1c(C(N(CC2)CCN2c2cc(OC)ccc2)=O)oc2c1cccc2)=O

InChI

InChI=1S/C25H29N3O4/c1-17(2)15-22(29)26-23-20-9-4-5-10-21(20)32-24(23)25(30)28-13-11-27(12-14-28)18-7-6-8-19(16-18)31-3/h4-10,16-17H,11-15H2,1-3H3,(H,26,29)

InChI Key

QDBREFMWRVRWIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.28

Polar Surface Area

57.970

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E002-2554 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E002-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2554?
Check Price and Availability of E002-2554, 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 E002-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2554
  • 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 E002-2554 available by request