3978-0017 Screening compound: 4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of ChemDiv screening compound 3978-0017
4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic 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
3978-0017
Molecular Formula
C22H21BrN4O3 (C22 H21 BrN4 O3)
Compound Name
4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid
IUPAC name
4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobutanoic acid
SMILES
OC(CCC(N(CC1)CCN1c1nc(-c2ccccc2)c(cc(cc2)Br)c2n1)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.34
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.540
Distribution Coefficient, logD
0.591
Water Solubility, LogSw
-3.81
Polar Surface Area
65.987
Acid Dissociation Constant (pKa)
4.45
Base Dissociation Constant (pKb)
4.11
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
References: we are preparing a list of scientific research reports with 3978-0017 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)