Y010-1913 Screening compound: N,N-dibenzyl(4-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methanamine

Y010-1913 Screening compound: N,N-dibenzyl(4-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methanamine
Y010-1913 Screening compound: N,N-dibenzyl(4-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1913
N,N-dibenzyl(4-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methanamine

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

Y010-1913

Molecular Formula

C30H28ClN5 (C30 H28 ClN5)

Compound Name

N,N-dibenzyl(4-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]methanamine

IUPAC name

dibenzyl[(4-chlorophenyl)[1-(26-dimethylphenyl)-1H-1234-tetrazol-5-yl]methyl]amine

SMILES

Cc1cccc(C)c1-n1nnnc1C(c(cc1)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C30H28ClN5/c1-22-10-9-11-23(2)28(22)36-30(32-33-34-36)29(26-16-18-27(31)19-17-26)35(20-24-12-5-3-6-13-24)21-25-14-7-4-8-15-25/h3-19,29H,20-21H2,1-2H3/t29-/m1/s1

InChI Key

AWMHGZDQCFCXIC-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD00311448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.262

Distribution Coefficient, logD

7.262

Water Solubility, LogSw

-6.75

Polar Surface Area

41.021

Acid Dissociation Constant (pKa)

17.45

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

Y010-1913 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y010-1913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1913?
Check Price and Availability of Y010-1913, 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 Y010-1913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1913
  • 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 Y010-1913 available by request