E002-2442 Screening compound: 3,4,5-trimethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

E002-2442 Screening compound: 3,4,5-trimethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide
E002-2442 Screening compound: 3,4,5-trimethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2442
3,4,5-trimethoxy-N-{2-[4-(4-methoxyphenyl)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

E002-2442

Molecular Formula

C30H31N3O7 (C30 H31 N3 O7)

Compound Name

3,4,5-trimethoxy-N-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}benzamide

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(oc1c2cccc1)c2NC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C30H31N3O7/c1-36-21-11-9-20(10-12-21)32-13-15-33(16-14-32)30(35)28-26(22-7-5-6-8-23(22)40-28)31-29(34)19-17-24(37-2)27(39-4)25(18-19)38-3/h5-12,17-18H,13-16H2,1-4H3,(H,31,34)

InChI Key

MYJNSNOQBFDFGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.25

Polar Surface Area

80.890

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with E002-2442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2442?
Check Price and Availability of E002-2442, 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 E002-2442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2442
  • 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 E002-2442 available by request