8018-6179 Screening compound: methyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-2-phenylacetate

8018-6179 Screening compound: methyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-2-phenylacetate
8018-6179 Screening compound: methyl 2-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6179
methyl 2-{2-[(1-methyl-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

8018-6179

Molecular Formula

C15H17N3O3S (C15 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(NC(C(OC)=O)c2ccccc2)=O)ncc1

InChI

InChI=1S/C15H17N3O3S/c1-18-9-8-16-15(18)22-10-12(19)17-13(14(20)21-2)11-6-4-3-5-7-11/h3-9,13H,10H2,1-2H3,(H,17,19)/t13-/m1/s1

InChI Key

CHHGCFJYMANUNT-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07800889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.928

Distribution Coefficient, logD

0.814

Water Solubility, LogSw

-2.17

Polar Surface Area

57.883

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

8018-6179 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-6179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6179?
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What is the minimum amount of 8018-6179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6179
  • 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 8018-6179 available by request