5677-0250 Screening compound: 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5677-0250 Screening compound: 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
5677-0250 Screening compound: 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5677-0250
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-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

5677-0250

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[(2-methylphenoxy)methyl]-13-oxazole-4-carbonitrile

SMILES

Cc(cccc1)c1OCc1nc(C#N)c(NCCCn2cncc2)o1

InChI

InChI=1S/C18H19N5O2/c1-14-5-2-3-6-16(14)24-12-17-22-15(11-19)18(25-17)21-7-4-9-23-10-8-20-13-23/h2-3,5-6,8,10,13,21H,4,7,9,12H2,1H3

InChI Key

KYXXDVMQELOODJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-2.16

Polar Surface Area

66.171

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5677-0250 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5677-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5677-0250?
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What is the minimum amount of 5677-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5677-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5677-0250
  • 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 5677-0250 available by request