E002-2575 Screening compound: 5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1,2-oxazole-3-carboxamide

E002-2575 Screening compound: 5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1,2-oxazole-3-carboxamide
E002-2575 Screening compound: 5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2575
5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1,2-oxazole-3-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

E002-2575

Molecular Formula

C30H25FN4O5 (C30 H25 FN4 O5)

Compound Name

5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(4-fluorophenyl)-N-{2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-12-oxazole-3-carboxamide

SMILES

COc1cccc(N(CC2)CCN2C(c(oc2c3cccc2)c3NC(c2noc(-c(cc3)ccc3F)c2)=O)=O)c1

InChI

InChI=1S/C30H25FN4O5/c1-38-22-6-4-5-21(17-22)34-13-15-35(16-14-34)30(37)28-27(23-7-2-3-8-25(23)39-28)32-29(36)24-18-26(40-33-24)19-9-11-20(31)12-10-19/h2-12,17-18H,13-16H2,1H3,(H,32,36)

InChI Key

BGZLLSDNXVEFCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.044

Water Solubility, LogSw

-5.07

Polar Surface Area

79.448

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E002-2575 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 E002-2575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2575?
Check Price and Availability of E002-2575, 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 E002-2575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2575
  • 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 E002-2575 available by request