Y010-2037 Screening compound: 5-butoxy-N,1-bis(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide

Y010-2037 Screening compound: 5-butoxy-N,1-bis(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide
Y010-2037 Screening compound: 5-butoxy-N,1-bis(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-2037
5-butoxy-N,1-bis(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide

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

Y010-2037

Molecular Formula

C21H22Cl2N4O2 (C21 H22 Cl2 N4 O2)

Compound Name

5-butoxy-N,1-bis(2-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-butoxy-N1-bis[(2-chlorophenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

CCCCOc1c(C(NCc(cccc2)c2Cl)=O)nnn1Cc(cccc1)c1Cl

InChI

InChI=1S/C21H22Cl2N4O2/c1-2-3-12-29-21-19(20(28)24-13-15-8-4-6-10-17(15)22)25-26-27(21)14-16-9-5-7-11-18(16)23/h4-11H,2-3,12-14H2,1H3,(H,24,28)

InChI Key

CZJDEAUSOMKQOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07756484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.79

Polar Surface Area

58.292

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y010-2037 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y010-2037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-2037?
Check Price and Availability of Y010-2037, 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 Y010-2037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-2037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-2037
  • 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 Y010-2037 available by request