3333-3453 Screening compound: 1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole
Chemical Structure Depiction of ChemDiv screening compound 3333-3453
1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole
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
3333-3453
Molecular Formula
C20H14Br2N2O2 (C20 H14 Br2 N2 O2)
Compound Name
1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole
IUPAC name
1-(2-bromobenzoyl)-3-(4-bromophenyl)-5-(furan-2-yl)-45-dihydro-1H-pyrazole
SMILES
O=C(c(cccc1)c1Br)N(C(C1)c2ccco2)N=C1c(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
474.15
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.499
Distribution Coefficient, logD
5.499
Water Solubility, LogSw
-5.83
Polar Surface Area
35.693
Acid Dissociation Constant (pKa)
22.31
Base Dissociation Constant (pKb)
-1.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
10.00
3333-3453 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 3333-3453 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)