E540-1176 Screening compound: 2-[(2,2-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

E540-1176 Screening compound: 2-[(2,2-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
E540-1176 Screening compound: 2-[(2,2-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-1176
2-[(2,2-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

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

E540-1176

Molecular Formula

C14H25NO5 (C14 H25 NO5)

Compound Name

2-[(2,2-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

IUPAC name

2-[(22-diethoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid

SMILES

CCOC(CNC(C(CCCC1)C1C(O)=O)=O)OCC

InChI

InChI=1S/C14H25NO5/c1-3-19-12(20-4-2)9-15-13(16)10-7-5-6-8-11(10)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)

InChI Key

ILKBFHBIWUVJGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.866

Distribution Coefficient, logD

-1.785

Water Solubility, LogSw

-1.60

Polar Surface Area

68.178

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.70

E540-1176 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E540-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-1176?
Check Price and Availability of E540-1176, 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 E540-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-1176
  • 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 E540-1176 available by request