8019-4368 Screening compound: ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

8019-4368 Screening compound: ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate
8019-4368 Screening compound: ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4368
ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}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

8019-4368

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

ethyl 4-{2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(45-dimethyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nc(C)c(C)[nH]1)=O)=O

InChI

InChI=1S/C16H19N3O3S/c1-4-22-15(21)12-5-7-13(8-6-12)19-14(20)9-23-16-17-10(2)11(3)18-16/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,20)

InChI Key

QGWLKMFEVUEJLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.22

Polar Surface Area

63.335

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8019-4368 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-4368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4368?
Check Price and Availability of 8019-4368, 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.
What is the minimum amount of 8019-4368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4368
  • 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 8019-4368 available by request