V018-8705 Screening compound: 4-[(4-fluorophenyl)methyl]-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound V018-8705
4-[(4-fluorophenyl)methyl]-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
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
V018-8705
Molecular Formula
C20H16FN3OS (C20 H16 FN3 OS)
Compound Name
4-[(4-fluorophenyl)methyl]-N-[(pyridin-2-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
IUPAC name
4-[(4-fluorophenyl)methyl]-N-[(pyridin-2-yl)methyl]-4H-thieno[32-b]pyrrole-5-carboxamide
SMILES
O=C(c1cc(scc2)c2n1Cc(cc1)ccc1F)NCc1ncccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
365.43
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.815
Distribution Coefficient, logD
3.815
Water Solubility, LogSw
-4.09
Polar Surface Area
35.667
Acid Dissociation Constant (pKa)
12.20
Base Dissociation Constant (pKb)
3.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.00
V018-8705 in Drug Discovery
Included in Screening Libraries
Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Metabolic
- Immune system
- Others
References: we are preparing a list of scientific research reports with V018-8705 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)