3277-0149 Screening compound: 2-(4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-iodo-6-methoxyphenoxy)acetic acid
Chemical Structure Depiction of ChemDiv screening compound 3277-0149
2-(4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-iodo-6-methoxyphenoxy)acetic 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
3277-0149
Molecular Formula
C21H17IN2O5S (C21 H17 IN2 O5 S)
Compound Name
2-(4-{[6,7-dimethyl-3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-2-iodo-6-methoxyphenoxy)acetic acid
IUPAC name
2-(4-{[(4E)-1011-dimethyl-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-4-ylidene]methyl}-2-iodo-6-methoxyphenoxy)acetic acid
SMILES
Cc(c(C)c1)cc(n2C3=O)c1nc2S/C3=C/c(cc1OC)cc(I)c1OCC(O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
536.35
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.878
Distribution Coefficient, logD
0.641
Water Solubility, LogSw
-4.53
Polar Surface Area
68.139
Acid Dissociation Constant (pKa)
3.16
Base Dissociation Constant (pKb)
-1.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.00
References: we are preparing a list of scientific research reports with 3277-0149 chemical compound. It will be published here after verification.
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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)