Y031-6599 Screening compound: 1,3-bis(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)urea

Y031-6599 Screening compound: 1,3-bis(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)urea
Y031-6599 Screening compound: 1,3-bis(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6599
1,3-bis(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)urea

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

Y031-6599

Molecular Formula

C19H18N8O (C19 H18 N8 O)

Compound Name

1,3-bis(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)urea

IUPAC name

13-bis(5-methyl-2-phenyl-2H-123-triazol-4-yl)urea

SMILES

Cc1nn(-c2ccccc2)nc1NC(Nc1nn(-c2ccccc2)nc1C)=O

InChI

InChI=1S/C19H18N8O/c1-13-17(24-26(22-13)15-9-5-3-6-10-15)20-19(28)21-18-14(2)23-27(25-18)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,20,21,24,25,28)

InChI Key

HEGXDYHLVACJQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00356810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-2.89

Polar Surface Area

83.640

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y031-6599 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 Y031-6599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6599?
Check Price and Availability of Y031-6599, 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 Y031-6599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6599
  • 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 Y031-6599 available by request