8009-7555 Screening compound: 1,1-dimethyl-4-(1-pyrrolidinyl)-2-butynyl acetate
Chemical Structure Depiction of ChemDiv screening compound 8009-7555
1,1-dimethyl-4-(1-pyrrolidinyl)-2-butynyl acetate
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
8009-7555
Molecular Formula
C12H19NO2 (C12 H19 NO2)
Compound Name
1,1-dimethyl-4-(1-pyrrolidinyl)-2-butynyl acetate
IUPAC name
2-methyl-5-(pyrrolidin-1-yl)pent-3-yn-2-yl acetate
SMILES
CC(C)(C#CCN1CCCC1)OC(C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
209.29
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
1.608
Distribution Coefficient, logD
1.030
Water Solubility, LogSw
-1.36
Polar Surface Area
24.435
Acid Dissociation Constant (pKa)
24.82
Base Dissociation Constant (pKb)
7.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
75.00
8009-7555 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8009-7555 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)