Y021-2417 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-[7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl]-1-ethanone

Y021-2417 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-[7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl]-1-ethanone
Y021-2417 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-[7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2417
2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-[7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl]-1-ethanone

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

Y021-2417

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-[7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl]-1-ethanone

IUPAC name

2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-1-{779-trimethyl-2H3H6H7H-[14]dioxino[23-g]quinolin-6-yl}ethan-1-one

SMILES

CC1(C)N(C(CSc2nnnn2-c2ccccc2)=O)c(cc2OCCOc2c2)c2C(C)=C1

InChI

InChI=1S/C23H23N5O3S/c1-15-13-23(2,3)27(18-12-20-19(11-17(15)18)30-9-10-31-20)21(29)14-32-22-24-25-26-28(22)16-7-5-4-6-8-16/h4-8,11-13H,9-10,14H2,1-3H3

InChI Key

VJZABEBHOOAYPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30713384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.80

Polar Surface Area

69.542

Acid Dissociation Constant (pKa)

19.24

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

Y021-2417 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 Y021-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2417?
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What is the minimum amount of Y021-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2417
  • 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 Y021-2417 available by request