4802-0211 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

4802-0211 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
4802-0211 Screening compound: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0211
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

4802-0211

Molecular Formula

C21H27N3OS (C21 H27 N3 OS)

Compound Name

2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1-(2,2,4,6-tetramethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(46-dimethylpyrimidin-2-yl)sulfanyl]-1-(2246-tetramethyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(CC1(C)C)c(cc(C)cc2)c2N1C(CSc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C21H27N3OS/c1-13-7-8-18-17(9-13)14(2)11-21(5,6)24(18)19(25)12-26-20-22-15(3)10-16(4)23-20/h7-10,14H,11-12H2,1-6H3/t14-/m1/s1

InChI Key

AXPSEZFKPJWJSM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03176185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.06

Polar Surface Area

30.703

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

4802-0211 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4802-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0211?
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What is the minimum amount of 4802-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0211
  • 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 4802-0211 available by request