V007-0629 Screening compound: methyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate
Chemical Structure Depiction of ChemDiv screening compound V007-0629
methyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate
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
V007-0629
Molecular Formula
C26H33N3O6S (C26 H33 N3 O6 S)
Compound Name
methyl 5-{4-[2-methoxy-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate
IUPAC name
methyl 5-{4-[2-methoxy-5-(1234-tetrahydroisoquinoline-2-sulfonyl)phenyl]piperazin-1-yl}-5-oxopentanoate
SMILES
COC(CCCC(N(CC1)CCN1c(cc(cc1)S(N(CC2)Cc3c2cccc3)(=O)=O)c1OC)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
515.63
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
3.066
Distribution Coefficient, logD
3.066
Water Solubility, LogSw
-3.59
Polar Surface Area
79.172
Acid Dissociation Constant (pKa)
22.30
Base Dissociation Constant (pKb)
4.43
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
46.20
References: we are preparing a list of scientific research reports with V007-0629 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)