8017-1287 Screening compound: N-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine

8017-1287 Screening compound: N-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine
8017-1287 Screening compound: N-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1287
N-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)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

8017-1287

Molecular Formula

C14H16Cl2N4 (C14 H16 Cl2 N4)

Compound Name

N-(3,4-dichlorophenyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine

IUPAC name

34-dichloro-N-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)aniline

SMILES

Clc(ccc(NCc1nnc2n1CCCCC2)c1)c1Cl

InChI

InChI=1S/C14H16Cl2N4/c15-11-6-5-10(8-12(11)16)17-9-14-19-18-13-4-2-1-3-7-20(13)14/h5-6,8,17H,1-4,7,9H2

InChI Key

KHTMGWLXJSVXMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02660238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.21

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.58

Polar Surface Area

36.745

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 8017-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1287?
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What is the minimum amount of 8017-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1287
  • 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 8017-1287 available by request