1131-0006 Screening compound: butyl 4-(4-methylcyclohexaneamido)benzoate

1131-0006 Screening compound: butyl 4-(4-methylcyclohexaneamido)benzoate
1131-0006 Screening compound: butyl 4-(4-methylcyclohexaneamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1131-0006
butyl 4-(4-methylcyclohexaneamido)benzoate

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

1131-0006

Molecular Formula

C19H27NO3 (C19 H27 NO3)

Compound Name

butyl 4-(4-methylcyclohexaneamido)benzoate

IUPAC name

butyl 4-(4-methylcyclohexaneamido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(C1CCC(C)CC1)=O)=O

InChI

InChI=1S/C19H27NO3/c1-3-4-13-23-19(22)16-9-11-17(12-10-16)20-18(21)15-7-5-14(2)6-8-15/h9-12,14-15H,3-8,13H2,1-2H3,(H,20,21)

InChI Key

VYXJADAZWAXHQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.867

Water Solubility, LogSw

-5.48

Polar Surface Area

44.570

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

1131-0006 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1131-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1131-0006?
Check Price and Availability of 1131-0006, 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 1131-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1131-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1131-0006
  • 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 1131-0006 available by request