3729-3071 Screening compound: 5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

3729-3071 Screening compound: 5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
3729-3071 Screening compound: 5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3071
5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-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

3729-3071

Molecular Formula

C26H19ClN2O3 (C26 H19 ClN2 O3)

Compound Name

5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

IUPAC name

5-(4-chlorophenyl)-N-[2-(4-ethylphenyl)-13-benzoxazol-5-yl]furan-2-carboxamide

SMILES

CCc(cc1)ccc1-c1nc(cc(cc2)NC(c3ccc(-c(cc4)ccc4Cl)o3)=O)c2o1

InChI

InChI=1S/C26H19ClN2O3/c1-2-16-3-5-18(6-4-16)26-29-21-15-20(11-12-23(21)32-26)28-25(30)24-14-13-22(31-24)17-7-9-19(27)10-8-17/h3-15H,2H2,1H3,(H,28,30)

InChI Key

VPKSRFNIFUXKDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.366

Distribution Coefficient, logD

7.366

Water Solubility, LogSw

-6.47

Polar Surface Area

48.539

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3729-3071 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3729-3071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3071?
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What is the minimum amount of 3729-3071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3071
  • 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 3729-3071 available by request