Y503-4692 Screening compound: 2-[(4-bromophenoxy)methyl]-4-(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether

Y503-4692 Screening compound: 2-[(4-bromophenoxy)methyl]-4-(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether
Y503-4692 Screening compound: 2-[(4-bromophenoxy)methyl]-4-(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4692
2-[(4-bromophenoxy)methyl]-4-(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether

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

Y503-4692

Molecular Formula

C26H20BrN5O2S (C26 H20 BrN5 O2 S)

Compound Name

2-[(4-bromophenoxy)methyl]-4-(7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenyl methyl ether

IUPAC name

4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1113-dimethyl-16-thia-356814-pentaazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)24710(15)1113-heptaene

SMILES

Cc1cc(C)nc2c1c(ncn1nc(-c(cc3)cc(COc(cc4)ccc4Br)c3OC)nc11)c1s2

InChI

InChI=1S/C26H20BrN5O2S/c1-14-10-15(2)29-26-21(14)22-23(35-26)25-30-24(31-32(25)13-28-22)16-4-9-20(33-3)17(11-16)12-34-19-7-5-18(27)6-8-19/h4-11,13H,12H2,1-3H3

InChI Key

VJHUKBFKDOTQDT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.579

Distribution Coefficient, logD

6.433

Water Solubility, LogSw

-6.13

Polar Surface Area

54.885

Acid Dissociation Constant (pKa)

28.11

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y503-4692 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y503-4692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4692?
Check Price and Availability of Y503-4692, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y503-4692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4692
  • 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 Y503-4692 available by request