Y021-2135 Screening compound: 1-(4-bromophenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-ethanone

Y021-2135 Screening compound: 1-(4-bromophenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-ethanone
Y021-2135 Screening compound: 1-(4-bromophenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2135
1-(4-bromophenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-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

Y021-2135

Molecular Formula

C18H13BrN4OS (C18 H13 BrN4 OS)

Compound Name

1-(4-bromophenyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-ethanone

IUPAC name

1-(4-bromophenyl)-2-({2-methyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)ethan-1-one

SMILES

Cc1nn2c(SCC(c(cc3)ccc3Br)=O)nc(cccc3)c3c2n1

InChI

InChI=1S/C18H13BrN4OS/c1-11-20-17-14-4-2-3-5-15(14)21-18(23(17)22-11)25-10-16(24)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3

InChI Key

STRXRAHZKOQULB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.29

Polar Surface Area

42.928

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y021-2135 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2135?
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What is the minimum amount of Y021-2135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2135
  • 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 Y021-2135 available by request