8012-0976 Screening compound: 1,3-dibenzylhexahydro-2-pyrimidinecarboxylic acid

8012-0976 Screening compound: 1,3-dibenzylhexahydro-2-pyrimidinecarboxylic acid
8012-0976 Screening compound: 1,3-dibenzylhexahydro-2-pyrimidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0976
1,3-dibenzylhexahydro-2-pyrimidinecarboxylic 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

8012-0976

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

1,3-dibenzylhexahydro-2-pyrimidinecarboxylic acid

IUPAC name

13-dibenzyl-13-diazinane-2-carboxylic acid

SMILES

OC(C1N(Cc2ccccc2)CCCN1Cc1ccccc1)=O

InChI

InChI=1S/C19H22N2O2/c22-19(23)18-20(14-16-8-3-1-4-9-16)12-7-13-21(18)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,23)

InChI Key

KKOFJYVKROYBAN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

-0.480

Water Solubility, LogSw

-2.37

Polar Surface Area

35.392

Acid Dissociation Constant (pKa)

2.70

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8012-0976 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0976?
Check Price and Availability of 8012-0976, 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 8012-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0976
  • 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 8012-0976 available by request