1438-0121 Screening compound: cubane-1,8-dicarboxylic acid

1438-0121 Screening compound: cubane-1,8-dicarboxylic acid
1438-0121 Screening compound: cubane-1,8-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1438-0121
cubane-1,8-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

1438-0121

Molecular Formula

C10H8O4 (C10 H8 O4)

Compound Name

cubane-1,8-dicarboxylic acid

IUPAC name

cubane-18-dicarboxylic acid

SMILES

OC(C1(C2C3C1C14)C4C2C13C(O)=O)=O

InChI

InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)

InChI Key

JFKXMJUMOJJTCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08458496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.239

Distribution Coefficient, logD

-2.532

Water Solubility, LogSw

0.09

Polar Surface Area

58.333

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

1438-0121 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1438-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1438-0121?
Check Price and Availability of 1438-0121, 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 1438-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1438-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1438-0121
  • 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 1438-0121 available by request