T001-1647 Screening compound: N~1~-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-N~1~-methylacetamide

T001-1647 Screening compound: N~1~-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-N~1~-methylacetamide
T001-1647 Screening compound: N~1~-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-1647
N~1~-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-N~1~-methylacetamide

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

T001-1647

Molecular Formula

C11H19ClN2O2 (C11 H19 ClN2 O2)

Compound Name

N~1~-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-N~1~-methylacetamide

IUPAC name

N-[2-(azepan-1-yl)-2-oxoethyl]-2-chloro-N-methylacetamide

SMILES

CN(CC(N1CCCCCC1)=O)C(CCl)=O

InChI

InChI=1S/C11H19ClN2O2/c1-13(10(15)8-12)9-11(16)14-6-4-2-3-5-7-14/h2-9H2,1H3

InChI Key

VPNRCNDAQDHOJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32259417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.739

Distribution Coefficient, logD

0.739

Water Solubility, LogSw

-0.57

Polar Surface Area

32.857

Acid Dissociation Constant (pKa)

20.80

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.82

T001-1647 in Drug Discovery

Included in Screening Libraries

Covalent Fragments Smart Library (839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with T001-1647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-1647?
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What is the minimum amount of T001-1647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-1647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-1647
  • 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 T001-1647 available by request