K403-0049 Screening compound: 2,4-diethyl 5-{2-[(5-{[(4-butoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of ChemDiv screening compound K403-0049
2,4-diethyl 5-{2-[(5-{[(4-butoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
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
K403-0049
Molecular Formula
C28H35N5O7S2 (C28 H35 N5 O7 S2)
Compound Name
2,4-diethyl 5-{2-[(5-{[(4-butoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
IUPAC name
24-diethyl 5-{2-[(5-{[(4-butoxyphenyl)formamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-24-dicarboxylate
SMILES
CCCCOc(cc1)ccc1C(NCc(n1C)nnc1SCC(Nc1c(C(OCC)=O)c(C)c(C(OCC)=O)s1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
617.75
Hydrogen Bond Acceptors Count
14.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
19.00
Number of Nitrogen and Oxygen Atoms
12
Partition Coefficient, logP
4.013
Distribution Coefficient, logD
2.139
Water Solubility, LogSw
-4.11
Polar Surface Area
122.581
Acid Dissociation Constant (pKa)
5.53
Base Dissociation Constant (pKb)
2.64
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
K403-0049 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
KRAS-Targeted Library (16000 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Phosphatases
- Epigenetic
References: we are preparing a list of scientific research reports with K403-0049 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of K403-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)