2142-0232 Screening compound: (1R,2S)-2-[(4-methoxyanilino)carbonyl]cyclohexane-1-carboxylic acid

2142-0232 Screening compound: (1R,2S)-2-[(4-methoxyanilino)carbonyl]cyclohexane-1-carboxylic acid
2142-0232 Screening compound: (1R,2S)-2-[(4-methoxyanilino)carbonyl]cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2142-0232
(1R,2S)-2-[(4-methoxyanilino)carbonyl]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

2142-0232

Molecular Formula

C15H19NO4 (C15 H19 NO4)

Compound Name

(1R,2S)-2-[(4-methoxyanilino)carbonyl]cyclohexane-1-carboxylic acid

IUPAC name

(1R2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

SMILES

COc(cc1)ccc1NC([C@H](CCCC1)[C@H]1C(O)=O)=O

InChI

InChI=1S/C15H19NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m1/s1

InChI Key

TWEPEGQCRSXENU-OLZOCXBDSA-N

MDL Number (MFCD)

MFCD00029487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

n/a

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

-0.471

Water Solubility, LogSw

-2.89

Polar Surface Area

59.474

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

2142-0232 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2142-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2142-0232?
Check Price and Availability of 2142-0232, 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 2142-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2142-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2142-0232
  • 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 2142-0232 available by request