D561-0741 Screening compound: 5-(cyclohexylamino)-2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D561-0741 Screening compound: 5-(cyclohexylamino)-2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D561-0741 Screening compound: 5-(cyclohexylamino)-2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0741
5-(cyclohexylamino)-2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

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

D561-0741

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

5-(cyclohexylamino)-2-{5-[(3,4-dimethylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

IUPAC name

5-(cyclohexylamino)-2-{5-[(34-dimethylphenoxy)methyl]furan-2-yl}-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)c(C)cc1OCc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)o1

InChI

InChI=1S/C23H25N3O3/c1-15-8-9-18(12-16(15)2)27-14-19-10-11-21(28-19)23-26-20(13-24)22(29-23)25-17-6-4-3-5-7-17/h8-12,17,25H,3-7,14H2,1-2H3

InChI Key

NTSJPDWNJXBBOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.916

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.44

Polar Surface Area

61.072

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D561-0741 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D561-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0741?
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What is the minimum amount of D561-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0741
  • 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 D561-0741 available by request