3229-1205 Screening compound: 2-{4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxy}acetic acid
Chemical Structure Depiction of ChemDiv screening compound 3229-1205
2-{4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxy}acetic 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
3229-1205
Molecular Formula
C22H29N7O4 (C22 H29 N7 O4)
Compound Name
2-{4-[(E)-{2-[4,6-bis(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxy}acetic acid
IUPAC name
2-{4-[(E)-{2-[46-bis(pyrrolidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-2-ethoxyphenoxy}acetic acid
SMILES
CCOc(cc(/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1)cc1)c1OCC(O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
455.52
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
4.402
Distribution Coefficient, logD
0.165
Water Solubility, LogSw
-4.11
Polar Surface Area
101.047
Acid Dissociation Constant (pKa)
3.16
Base Dissociation Constant (pKb)
6.78
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
3229-1205 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 3229-1205 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)