C085-1661 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]pyrrolidine
Chemical Structure Depiction of ChemDiv screening compound C085-1661
1-[(5-bromothiophen-2-yl)sulfonyl]pyrrolidine
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
C085-1661
Molecular Formula
C8H10BrNO2S2 (C8 H10 BrNO2 S2)
Compound Name
1-[(5-bromothiophen-2-yl)sulfonyl]pyrrolidine
IUPAC name
1-[(5-bromothiophen-2-yl)sulfonyl]pyrrolidine
SMILES
O=S(c(s1)ccc1Br)(N1CCCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
296.21
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.485
Distribution Coefficient, logD
2.485
Water Solubility, LogSw
-2.56
Polar Surface Area
33.334
Acid Dissociation Constant (pKa)
27.94
Base Dissociation Constant (pKb)
-4.10
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
C085-1661 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with C085-1661 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)