V001-4405 Screening compound: 3,3-dimethyl-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone
Chemical Structure Depiction of ChemDiv screening compound V001-4405
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone
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
V001-4405
Molecular Formula
C17H22N2O (C17 H22 N2 O)
Compound Name
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone
IUPAC name
33-dimethyl-1-{1H2H3H4H5H-pyrido[43-b]indol-2-yl}butan-1-one
SMILES
CC(C)(C)CC(N(CC1)Cc2c1[nH]c1c2cccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
270.37
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.002
Distribution Coefficient, logD
3.002
Water Solubility, LogSw
-3.24
Polar Surface Area
27.143
Acid Dissociation Constant (pKa)
18.68
Base Dissociation Constant (pKb)
-0.26
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
47.06
V001-4405 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
DGK Inhibitors Library (10558 compounds)
Indole Derivatives (10091 compounds)
Included in 1.7M Stock Database
- Immune system
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Kinases
- Cyclic compounds
References: we are preparing a list of scientific research reports with V001-4405 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)