3616-2459 Screening compound: 5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

3616-2459 Screening compound: 5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
3616-2459 Screening compound: 5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-2459
5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-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

3616-2459

Molecular Formula

C24H16ClN3O3 (C24 H16 ClN3 O3)

Compound Name

5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

IUPAC name

5-(3-chloro-2-methylphenyl)-N-[2-(pyridin-4-yl)-13-benzoxazol-5-yl]furan-2-carboxamide

SMILES

Cc(c(-c1ccc(C(Nc(cc2)cc3c2oc(-c2ccncc2)n3)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C24H16ClN3O3/c1-14-17(3-2-4-18(14)25)20-7-8-22(30-20)23(29)27-16-5-6-21-19(13-16)28-24(31-21)15-9-11-26-12-10-15/h2-13H,1H3,(H,27,29)

InChI Key

FFUSHYLHZWXXIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

5.509

Water Solubility, LogSw

-5.90

Polar Surface Area

57.968

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3616-2459 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with 3616-2459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-2459?
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What is the minimum amount of 3616-2459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-2459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-2459
  • 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 3616-2459 available by request