8020-3614 Screening compound: (1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid

8020-3614 Screening compound: (1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid
8020-3614 Screening compound: (1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3614
(1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic 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

8020-3614

Molecular Formula

C15H18O4 (C15 H18 O4)

Compound Name

(1S,2R,4S)-4-methyl-4-phenylcyclohexane-1,2-dicarboxylic acid

IUPAC name

(1S2R4S)-4-methyl-4-phenylcyclohexane-12-dicarboxylic acid

SMILES

C[C@](CC[C@@H]1C(O)=O)(C[C@H]1C(O)=O)c1ccccc1

InChI

InChI=1S/C15H18O4/c1-15(10-5-3-2-4-6-10)8-7-11(13(16)17)12(9-15)14(18)19/h2-6,11-12H,7-9H2,1H3,(H,16,17)(H,18,19)/t11-,12+,15-/m0/s1

InChI Key

KCSPTEJMOZSQKU-ZOWXZIJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.722

Distribution Coefficient, logD

-1.249

Water Solubility, LogSw

-2.69

Polar Surface Area

56.975

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.67

8020-3614 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 8020-3614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3614?
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What is the minimum amount of 8020-3614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3614
  • 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 8020-3614 available by request