V017-0357 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate

V017-0357 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate
V017-0357 Screening compound: ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0357
ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate

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

V017-0357

Molecular Formula

C24H26ClN3O4 (C24 H26 ClN3 O4)

Compound Name

ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate

IUPAC name

ethyl 3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-(2-ethyl-1H-imidazol-1-yl)benzoate

SMILES

CCc1nccn1-c(ccc(C(OCC)=O)c1)c1NC(C(C)(C)Oc(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H26ClN3O4/c1-5-21-26-13-14-28(21)20-12-7-16(22(29)31-6-2)15-19(20)27-23(30)24(3,4)32-18-10-8-17(25)9-11-18/h7-15H,5-6H2,1-4H3,(H,27,30)

InChI Key

MPNFSTCXTTZLNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964428

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.341

Distribution Coefficient, logD

5.018

Water Solubility, LogSw

-5.97

Polar Surface Area

62.249

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V017-0357 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V017-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0357?
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What is the minimum amount of V017-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0357
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V017-0357 available by request