8019-3879 Screening compound: 4,5-diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

8019-3879 Screening compound: 4,5-diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
8019-3879 Screening compound: 4,5-diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3879
4,5-diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

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

8019-3879

Molecular Formula

C12H18N2O4 (C12 H18 N2 O4)

Compound Name

4,5-diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

IUPAC name

45-diethyl 2-propyl-1H-imidazole-45-dicarboxylate

SMILES

CCCc1nc(C(OCC)=O)c(C(OCC)=O)[nH]1

InChI

InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)

InChI Key

ZQPMIDPIXSMOAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08062365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.282

Distribution Coefficient, logD

2.272

Water Solubility, LogSw

-2.10

Polar Surface Area

63.867

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

8019-3879 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-3879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3879?
Check Price and Availability of 8019-3879, 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 8019-3879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3879
  • 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 8019-3879 available by request