8013-2359 Screening compound: 2-chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

8013-2359 Screening compound: 2-chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide
8013-2359 Screening compound: 2-chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2359
2-chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

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

8013-2359

Molecular Formula

C20H19ClN4O (C20 H19 ClN4 O)

Compound Name

2-chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)benzamide

IUPAC name

2-chloro-N-(4-{5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}phenyl)benzamide

SMILES

O=C(c(cccc1)c1Cl)Nc(cc1)ccc1-c1nnc2n1CCCCC2

InChI

InChI=1S/C20H19ClN4O/c21-17-7-4-3-6-16(17)20(26)22-15-11-9-14(10-12-15)19-24-23-18-8-2-1-5-13-25(18)19/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,22,26)

InChI Key

QCUQEVAOHDLNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03459945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.38

Polar Surface Area

48.354

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8013-2359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2359?
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What is the minimum amount of 8013-2359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2359
  • 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 8013-2359 available by request