8017-2169 Screening compound: N~1~-(2-chloro-3-pyridyl)-N~2~-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide

8017-2169 Screening compound: N~1~-(2-chloro-3-pyridyl)-N~2~-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide
8017-2169 Screening compound: N~1~-(2-chloro-3-pyridyl)-N~2~-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2169
N~1~-(2-chloro-3-pyridyl)-N~2~-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide

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

8017-2169

Molecular Formula

C14H16ClN5O2 (C14 H16 ClN5 O2)

Compound Name

N~1~-(2-chloro-3-pyridyl)-N~2~-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide

IUPAC name

N'-(2-chloropyridin-3-yl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]ethanediamide

SMILES

Cc1nccn1CCCNC(C(Nc1cccnc1Cl)=O)=O

InChI

InChI=1S/C14H16ClN5O2/c1-10-16-7-9-20(10)8-3-6-18-13(21)14(22)19-11-4-2-5-17-12(11)15/h2,4-5,7,9H,3,6,8H2,1H3,(H,18,21)(H,19,22)

InChI Key

VYDSDGDJHRPADE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.064

Distribution Coefficient, logD

-0.064

Water Solubility, LogSw

-2.14

Polar Surface Area

69.380

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8017-2169 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 8017-2169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2169?
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What is the minimum amount of 8017-2169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2169
  • 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 8017-2169 available by request