F796-0544 Screening compound: N-[(4-bromophenyl)methyl]-2-{4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide
Chemical Structure Depiction of ChemDiv screening compound F796-0544
N-[(4-bromophenyl)methyl]-2-{4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide
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
F796-0544
Molecular Formula
C19H15BrN4O2 (C19 H15 BrN4 O2)
Compound Name
N-[(4-bromophenyl)methyl]-2-{4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-3-yl}acetamide
IUPAC name
N-[(4-bromophenyl)methyl]-2-{4-oxo-3H4H5H-pyrimido[54-b]indol-3-yl}acetamide
SMILES
O=C(CN(C=Nc1c2[nH]c3c1cccc3)C2=O)NCc(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.26
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.530
Distribution Coefficient, logD
2.530
Water Solubility, LogSw
-2.81
Polar Surface Area
58.769
Acid Dissociation Constant (pKa)
12.98
Base Dissociation Constant (pKb)
-0.69
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
10.50
F796-0544 in Drug Discovery
Included in Screening Libraries
Angiogenesis library (14822 compounds)
Anti-Aging Library (44940 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with F796-0544 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)