8018-4712 Screening compound: dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate

8018-4712 Screening compound: dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate
8018-4712 Screening compound: dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4712
dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-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

8018-4712

Molecular Formula

C13H21NO4 (C13 H21 NO4)

Compound Name

dimethyl 3,3-dimethylhexahydro-1H-pyrrolizine-1,2-dicarboxylate

IUPAC name

12-dimethyl 33-dimethyl-hexahydro-1H-pyrrolizine-12-dicarboxylate

SMILES

CC(C)(C1C(OC)=O)N(CCC2)C2C1C(OC)=O

InChI

InChI=1S/C13H21NO4/c1-13(2)10(12(16)18-4)9(11(15)17-3)8-6-5-7-14(8)13/h8-10H,5-7H2,1-4H3

InChI Key

QZOLDQZLTJTYLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07757619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-1.27

Polar Surface Area

45.967

Acid Dissociation Constant (pKa)

21.06

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

84.61

References: we are preparing a list of scientific research reports with 8018-4712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4712?
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What is the minimum amount of 8018-4712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4712
  • 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 8018-4712 available by request