K416-0149 Screening compound: N-ethyl-1-(pyridin-3-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
Chemical Structure Depiction of ChemDiv screening compound K416-0149
N-ethyl-1-(pyridin-3-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
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
K416-0149
Molecular Formula
C15H18N4S (C15 H18 N4 S)
Compound Name
N-ethyl-1-(pyridin-3-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
IUPAC name
N-ethyl-1-(pyridin-3-yl)-1H2H3H4H-pyrrolo[12-a]pyrazine-2-carbothioamide
SMILES
CCNC(N(CCn1c2ccc1)C2c1cnccc1)=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
286.4
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.205
Distribution Coefficient, logD
2.199
Water Solubility, LogSw
-1.59
Polar Surface Area
23.348
Acid Dissociation Constant (pKa)
18.18
Base Dissociation Constant (pKb)
5.52
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
K416-0149 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Hsp90-Targeted Library (11355 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Agro
References: we are preparing a list of scientific research reports with K416-0149 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)