D399-0031 Screening compound: 1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D399-0031
1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
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
D399-0031
Molecular Formula
C18H19BrN2O3S2 (C18 H19 BrN2 O3 S2)
Compound Name
1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
IUPAC name
1-(5-bromo-6-{[2-(thiophen-2-yl)pyrrolidin-1-yl]sulfonyl}-23-dihydro-1H-indol-1-yl)ethan-1-one
SMILES
CC(N(CCc1c2)c1cc(S(N(CCC1)C1c1cccs1)(=O)=O)c2Br)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
455.4
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
3.044
Distribution Coefficient, logD
3.044
Water Solubility, LogSw
-3.47
Polar Surface Area
49.951
Acid Dissociation Constant (pKa)
22.79
Base Dissociation Constant (pKb)
-2.56
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.89
D399-0031 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Agro
- Others
- Epigenetic
- PPI modulators
References: we are preparing a list of scientific research reports with D399-0031 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)