8017-6064 Screening compound: methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

8017-6064 Screening compound: methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate
8017-6064 Screening compound: methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6064
methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

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

8017-6064

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

IUPAC name

methyl 2-(2-{[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetamido)-2-phenylacetate

SMILES

CC(C)Cc([nH]1)c(C)nc1SCC(NC(C(OC)=O)c1ccccc1)=O

InChI

InChI=1S/C19H25N3O3S/c1-12(2)10-15-13(3)20-19(21-15)26-11-16(23)22-17(18(24)25-4)14-8-6-5-7-9-14/h5-9,12,17H,10-11H2,1-4H3,(H,20,21)(H,22,23)/t17-/m1/s1

InChI Key

JHVVOJXMJSLNKQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06616845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.70

Polar Surface Area

65.118

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8017-6064 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-6064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6064?
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What is the minimum amount of 8017-6064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6064
  • 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 8017-6064 available by request