Y502-3263 Screening compound: 9-(tert-butyl)-2-{[3-(2H-1,2,3,4-tetraazol-2-yl)-1-adamantyl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Y502-3263 Screening compound: 9-(tert-butyl)-2-{[3-(2H-1,2,3,4-tetraazol-2-yl)-1-adamantyl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Y502-3263 Screening compound: 9-(tert-butyl)-2-{[3-(2H-1,2,3,4-tetraazol-2-yl)-1-adamantyl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-3263
9-(tert-butyl)-2-{[3-(2H-1,2,3,4-tetraazol-2-yl)-1-adamantyl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

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

Y502-3263

Molecular Formula

C27H34N8S (C27 H34 N8 S)

Compound Name

9-(tert-butyl)-2-{[3-(2H-1,2,3,4-tetraazol-2-yl)-1-adamantyl]methyl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

13-tert-butyl-4-{[3-(2H-1234-tetrazol-2-yl)adamantan-1-yl]methyl}-10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaene

SMILES

CC(C)(C)C(CC1)Cc2c1c(c1nc(CC(CC(C3)C4)(CC3C3)CC34n3nncn3)nn1cn1)c1s2

InChI

InChI=1S/C27H34N8S/c1-25(2,3)18-4-5-19-20(7-18)36-24-22(19)23-31-21(32-34(23)15-28-24)12-26-8-16-6-17(9-26)11-27(10-16,13-26)35-30-14-29-33-35/h14-18H,4-13H2,1-3H3

InChI Key

QDSORBDUGQOSAX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.892

Distribution Coefficient, logD

5.892

Water Solubility, LogSw

-5.74

Polar Surface Area

73.511

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.37

Y502-3263 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y502-3263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-3263?
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What is the minimum amount of Y502-3263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-3263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-3263
  • 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 Y502-3263 available by request