Y080-1889 Screening compound: N,N-dimethyl-N-{4-[(E)-2-(1-propyl-1H-1,3-benzimidazol-2-yl)-1-ethenyl]phenyl}amine

Y080-1889 Screening compound: N,N-dimethyl-N-{4-[(E)-2-(1-propyl-1H-1,3-benzimidazol-2-yl)-1-ethenyl]phenyl}amine
Y080-1889 Screening compound: N,N-dimethyl-N-{4-[(E)-2-(1-propyl-1H-1,3-benzimidazol-2-yl)-1-ethenyl]phenyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1889
N,N-dimethyl-N-{4-[(E)-2-(1-propyl-1H-1,3-benzimidazol-2-yl)-1-ethenyl]phenyl}amine

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

Y080-1889

Molecular Formula

C20H23N3 (C20 H23 N3)

Compound Name

N,N-dimethyl-N-{4-[(E)-2-(1-propyl-1H-1,3-benzimidazol-2-yl)-1-ethenyl]phenyl}amine

IUPAC name

NN-dimethyl-4-[(1E)-2-(1-propyl-1H-13-benzodiazol-2-yl)ethenyl]aniline

SMILES

CCCn1c(cccc2)c2nc1/C=C/c(cc1)ccc1N(C)C

InChI

InChI=1S/C20H23N3/c1-4-15-23-19-8-6-5-7-18(19)21-20(23)14-11-16-9-12-17(13-10-16)22(2)3/h5-14H,4,15H2,1-3H3

InChI Key

VEZIJGVVMPRCDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.031

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-4.65

Polar Surface Area

13.926

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y080-1889 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1889?
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What is the minimum amount of Y080-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1889
  • 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 Y080-1889 available by request