Y043-2496 Screening compound: 4-{[(4-methylpiperazino)carbonyl]amino}benzoic acid
Chemical Structure Depiction of ChemDiv screening compound Y043-2496
4-{[(4-methylpiperazino)carbonyl]amino}benzoic acid
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
Y043-2496
Molecular Formula
C13H17N3O3 (C13 H17 N3 O3)
Compound Name
4-{[(4-methylpiperazino)carbonyl]amino}benzoic acid
IUPAC name
4-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
SMILES
CN(CC1)CCN1C(Nc(cc1)ccc1C(O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
263.3
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.129
Distribution Coefficient, logD
1.129
Water Solubility, LogSw
-1.90
Polar Surface Area
57.592
Acid Dissociation Constant (pKa)
5.01
Base Dissociation Constant (pKb)
8.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.46
Y043-2496 in Drug Discovery
Included in Screening Libraries
Fragments Library (11262 compounds)
RAR (Nuclear receptors) Ligands Library (6524 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Respiratory tract
- Eye
- Male
- Female
- Hemic and lymphatic
- Congenital
- Skin
- Endocrine
- Immune system
- Nervous system
- Cardiovascular
- Fragments
- Nuclear receptors
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with Y043-2496 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)