8020-8813 Screening compound: 3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
Chemical Structure Depiction of ChemDiv screening compound 8020-8813
3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
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
8020-8813
Molecular Formula
C12H12ClN2S (C12 H12 ClN2 S)
Compound Name
3-(4-chloroanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
IUPAC name
3-[(4-chlorophenyl)amino]-5H6H7H-4lambda5-pyrrolo[12-c][13]thiazol-4-ylium
SMILES
Clc(cc1)ccc1Nc1[n+](CCC2)c2cs1
InChI Key
Chemical and Physical Properties
Saltdata
Br-
Molecular Weight
251.76
Hydrogen Bond Acceptors Count
0.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
4.323
Distribution Coefficient, logD
4.323
Water Solubility, LogSw
-4.58
Polar Surface Area
10.913
Acid Dissociation Constant (pKa)
17.03
Base Dissociation Constant (pKb)
-7.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 8020-8813 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)