0087-0046 Screening compound: 4-(bromomethyl)benzoyl chloride
Chemical Structure Depiction of ChemDiv screening compound 0087-0046
4-(bromomethyl)benzoyl chloride
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
0087-0046
Molecular Formula
C8H6BrClO (C8 H6 BrClO)
Compound Name
4-(bromomethyl)benzoyl chloride
IUPAC name
4-(bromomethyl)benzoyl chloride
SMILES
O=C(c1ccc(CBr)cc1)Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
233.49
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
1
Partition Coefficient, logP
2.699
Distribution Coefficient, logD
2.699
Water Solubility, LogSw
-3.12
Polar Surface Area
14.076
Acid Dissociation Constant (pKa)
25.76
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
0087-0046 in Drug Discovery
Included in Screening Libraries
Crystallographic and 19F NMR fragment-libraries (624 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 0087-0046 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)