1814-2011 Screening compound: 6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one

1814-2011 Screening compound: 6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one
1814-2011 Screening compound: 6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1814-2011
6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-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

1814-2011

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one

IUPAC name

6-hexyl-7-hydroxy-3-{5-[(4-methylphenyl)amino]-134-thiadiazol-2-yl}-2H-chromen-2-one

SMILES

CCCCCCc(c(O)c1)cc(C=C2c3nnc(Nc4ccc(C)cc4)s3)c1OC2=O

InChI

InChI=1S/C24H25N3O3S/c1-3-4-5-6-7-16-12-17-13-19(23(29)30-21(17)14-20(16)28)22-26-27-24(31-22)25-18-10-8-15(2)9-11-18/h8-14,28H,3-7H2,1-2H3,(H,25,27)

InChI Key

DMCVYGRRQVUFJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.883

Distribution Coefficient, logD

6.870

Water Solubility, LogSw

-5.37

Polar Surface Area

69.894

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

1814-2011 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1814-2011 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1814-2011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1814-2011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1814-2011
  • 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 1814-2011 available by request