D472-0438 Screening compound: N-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine
Chemical Structure Depiction of ChemDiv screening compound D472-0438
N-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine
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
D472-0438
Molecular Formula
C23H30N6 (C23 H30 N6)
Compound Name
N-{3-[8,9-dimethyl-2-(3-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]propyl}-N,N-diethylamine
IUPAC name
{3-[1112-dimethyl-4-(3-methylphenyl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-10-yl]propyl}diethylamine
SMILES
CCN(CC)CCCn(c(C)c1C)c2c1c1nc(-c3cc(C)ccc3)nn1cn2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.53
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.401
Distribution Coefficient, logD
1.971
Water Solubility, LogSw
-4.43
Polar Surface Area
35.735
Acid Dissociation Constant (pKa)
24.72
Base Dissociation Constant (pKb)
9.83
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
43.50
D472-0438 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with D472-0438 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)