D009-0572 Screening compound: (2E)-3-{1-[3-(dibutylamino)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of ChemDiv screening compound D009-0572
(2E)-3-{1-[3-(dibutylamino)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
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
D009-0572
Molecular Formula
C30H40N2O4 (C30 H40 N2 O4)
Compound Name
(2E)-3-{1-[3-(dibutylamino)-2-hydroxypropyl]-1H-indol-3-yl}-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
IUPAC name
(2E)-3-{1-[3-(dibutylamino)-2-hydroxypropyl]-1H-indol-3-yl}-1-(34-dimethoxyphenyl)prop-2-en-1-one
SMILES
CCCCN(CCCC)CC(Cn1c(cccc2)c2c(/C=C/C(c(cc2)cc(OC)c2OC)=O)c1)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
492.66
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
15.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.492
Distribution Coefficient, logD
4.121
Water Solubility, LogSw
-5.43
Polar Surface Area
51.038
Acid Dissociation Constant (pKa)
16.26
Base Dissociation Constant (pKb)
8.75
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
43.30
D009-0572 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with D009-0572 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)