5624-1177 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate

5624-1177 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate
5624-1177 Screening compound: (Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5624-1177
(Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate

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

5624-1177

Molecular Formula

C13H17N3O2 (C13 H17 N3 O2)

Compound Name

(Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate

IUPAC name

(Z)-[amino(pyridin-3-yl)methylidene]amino cyclohexanecarboxylate

SMILES

N/C(/c1cnccc1)=N\OC(C1CCCCC1)=O

InChI

InChI=1S/C13H17N3O2/c14-12(11-7-4-8-15-9-11)16-18-13(17)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,14,16)

InChI Key

BVMXMKCLGHLSBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00264319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-1.11

Polar Surface Area

61.819

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

5624-1177 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5624-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5624-1177?
Check Price and Availability of 5624-1177, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5624-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5624-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5624-1177
  • 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 5624-1177 available by request