8013-3971 Screening compound: 3-[(4-chloro-3-nitrophenyl)formamido]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Chemical Structure Depiction of ChemDiv screening compound 8013-3971
3-[(4-chloro-3-nitrophenyl)formamido]-3-(4-ethoxy-3-methoxyphenyl)propanoic 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
8013-3971
Molecular Formula
C19H19ClN2O7 (C19 H19 ClN2 O7)
Compound Name
3-[(4-chloro-3-nitrophenyl)formamido]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
IUPAC name
3-[(4-chloro-3-nitrophenyl)formamido]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
SMILES
CCOc(ccc(C(CC(O)=O)NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.82
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.436
Distribution Coefficient, logD
-0.201
Water Solubility, LogSw
-3.33
Polar Surface Area
100.587
Acid Dissociation Constant (pKa)
4.76
Base Dissociation Constant (pKb)
-5.09
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
26.30
References: we are preparing a list of scientific research reports with 8013-3971 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)