E002-2657 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea

E002-2657 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea
E002-2657 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2657
3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea

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

E002-2657

Molecular Formula

C28H25F3N4O4 (C28 H25 F3 N4 O4)

Compound Name

3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl}-1-[2-(trifluoromethyl)phenyl]urea

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(oc1c2cccc1)c2NC(Nc1c(C(F)(F)F)cccc1)=O)=O

InChI

InChI=1S/C28H25F3N4O4/c1-38-19-12-10-18(11-13-19)34-14-16-35(17-15-34)26(36)25-24(20-6-2-5-9-23(20)39-25)33-27(37)32-22-8-4-3-7-21(22)28(29,30)31/h2-13H,14-17H2,1H3,(H2,32,33,37)

InChI Key

YHBVECLYJUYNMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.505

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.75

Polar Surface Area

66.426

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with E002-2657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2657?
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What is the minimum amount of E002-2657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2657
  • 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 E002-2657 available by request