3643-2261 Screening compound: 3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}phenyl)urea

3643-2261 Screening compound: 3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}phenyl)urea
3643-2261 Screening compound: 3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2261
3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}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

3643-2261

Molecular Formula

C25H24N4O4 (C25 H24 N4 O4)

Compound Name

3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}phenyl)urea

IUPAC name

3-[(furan-2-yl)methyl]-1-(4-{[4-({[(furan-2-yl)methyl]carbamoyl}amino)phenyl]methyl}phenyl)urea

SMILES

O=C(NCc1ccco1)Nc1ccc(Cc(cc2)ccc2NC(NCc2ccco2)=O)cc1

InChI

InChI=1S/C25H24N4O4/c30-24(26-16-22-3-1-13-32-22)28-20-9-5-18(6-10-20)15-19-7-11-21(12-8-19)29-25(31)27-17-23-4-2-14-33-23/h1-14H,15-17H2,(H2,26,28,30)(H2,27,29,31)

InChI Key

CNQOHTQEPNLYAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00088725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.82

Polar Surface Area

82.715

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3643-2261 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 3643-2261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-2261?
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What is the minimum amount of 3643-2261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2261
  • 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 3643-2261 available by request