1889-0527 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]butanamide

1889-0527 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]butanamide
1889-0527 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-0527
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]butanamide

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

1889-0527

Molecular Formula

C13H17N3O (C13 H17 N3 O)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]butanamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]butanamide

SMILES

CCCC(NCCc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C13H17N3O/c1-2-5-13(17)14-9-8-12-15-10-6-3-4-7-11(10)16-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,17)(H,15,16)

InChI Key

JYKZPMXXRNLVNV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.04

Polar Surface Area

44.833

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 1889-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-0527?
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What is the minimum amount of 1889-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-0527
  • 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 1889-0527 available by request