8018-1342 Screening compound: 3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-chromene-4-carboxamide

8018-1342 Screening compound: 3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-chromene-4-carboxamide
8018-1342 Screening compound: 3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-chromene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1342
3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-chromene-4-carboxamide

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

8018-1342

Molecular Formula

C14H16N4O3 (C14 H16 N4 O3)

Compound Name

3,3,4-tricyano-8a-hydroxy-2-methyloctahydro-2H-chromene-4-carboxamide

IUPAC name

n/a

SMILES

CC(C(C(C1CCCC2)(C(N)=O)C#N)(C#N)C#N)OC12O

InChI

InChI=1S/C14H16N4O3/c1-9-12(6-15,7-16)13(8-17,11(18)19)10-4-2-3-5-14(10,20)21-9/h9-10,20H,2-5H2,1H3,(H2,18,19)

InChI Key

MNGGQDUHBPABEF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.474

Distribution Coefficient, logD

0.474

Water Solubility, LogSw

-0.63

Polar Surface Area

109.636

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with 8018-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1342?
Check Price and Availability of 8018-1342, 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 8018-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1342
  • 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 8018-1342 available by request