0242-0435 Screening compound: benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}-2-phenylacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxo-1-phenylethyl}carbamate
Chemical Structure Depiction of ChemDiv screening compound 0242-0435
benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}-2-phenylacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxo-1-phenylethyl}carbamate
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
0242-0435
Molecular Formula
C44H52N4O10 (C44 H52 N4 O10)
Compound Name
benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}-2-phenylacetyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl]-2-oxo-1-phenylethyl}carbamate
IUPAC name
benzyl N-{2-[16-(2-{[(benzyloxy)carbonyl]amino}-2-phenylacetyl)-141013-tetraoxa-716-diazacyclooctadecan-7-yl]-2-oxo-1-phenylethyl}carbamate
SMILES
O=C(C(c1ccccc1)NC(OCc1ccccc1)=O)N(CCOCCOCC1)CCOCCOCCN1C(C(c1ccccc1)NC(OCc1ccccc1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
796.92
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
16.00
Number of Nitrogen and Oxygen Atoms
14
Partition Coefficient, logP
4.544
Distribution Coefficient, logD
4.543
Water Solubility, LogSw
-4.57
Polar Surface Area
129.752
Acid Dissociation Constant (pKa)
10.58
Base Dissociation Constant (pKb)
0.20
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
36.40
0242-0435 in Drug Discovery
Included in Screening Libraries
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
References: we are preparing a list of scientific research reports with 0242-0435 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)