8006-3181 Screening compound: 3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

8006-3181 Screening compound: 3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
8006-3181 Screening compound: 3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3181
3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-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

8006-3181

Molecular Formula

C22H27NO5 (C22 H27 NO5)

Compound Name

3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-({4-[(hexyloxy)carbonyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

CCCCCCOC(c(cc1)ccc1NC(C(C1C=CC2C1)C2C(O)=O)=O)=O

InChI

InChI=1S/C22H27NO5/c1-2-3-4-5-12-28-22(27)14-8-10-17(11-9-14)23-20(24)18-15-6-7-16(13-15)19(18)21(25)26/h6-11,15-16,18-19H,2-5,12-13H2,1H3,(H,23,24)(H,25,26)

InChI Key

WCUKQXBTWNWPSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-4.62

Polar Surface Area

73.630

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

8006-3181 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-3181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3181?
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What is the minimum amount of 8006-3181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3181
  • 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 8006-3181 available by request