T002-1466 Screening compound: N~1~-[1-(2-butynoyl)tetrahydro-1H-pyrrol-3-yl]-2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound T002-1466
N~1~-[1-(2-butynoyl)tetrahydro-1H-pyrrol-3-yl]-2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetamide
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
T002-1466
Molecular Formula
C17H17N3O4 (C17 H17 N3 O4)
Compound Name
N~1~-[1-(2-butynoyl)tetrahydro-1H-pyrrol-3-yl]-2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetamide
IUPAC name
N-[1-(but-2-ynoyl)pyrrolidin-3-yl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide
SMILES
CC#CC(N(CC1)CC1NC(CN(c(cccc1)c1O1)C1=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
327.34
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.109
Distribution Coefficient, logD
1.109
Water Solubility, LogSw
-2.08
Polar Surface Area
63.764
Acid Dissociation Constant (pKa)
16.00
Base Dissociation Constant (pKb)
-0.70
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.29
T002-1466 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
KRAS-Targeted Library (16000 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Kinases
References: we are preparing a list of scientific research reports with T002-1466 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)