Y070-1858 Screening compound: 4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]benzamide

Y070-1858 Screening compound: 4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]benzamide
Y070-1858 Screening compound: 4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1858
4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]benzamide

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

Y070-1858

Molecular Formula

C19H14BrN3OS (C19 H14 BrN3 OS)

Compound Name

4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]benzamide

IUPAC name

4-bromo-N-[2-(cyanomethyl)-4-(4-methylphenyl)-13-thiazol-5-yl]benzamide

SMILES

Cc(cc1)ccc1-c1c(NC(c(cc2)ccc2Br)=O)sc(CC#N)n1

InChI

InChI=1S/C19H14BrN3OS/c1-12-2-4-13(5-3-12)17-19(25-16(22-17)10-11-21)23-18(24)14-6-8-15(20)9-7-14/h2-9H,10H2,1H3,(H,23,24)

InChI Key

ZDZDPJVHUOHNEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18075890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.38

Polar Surface Area

50.597

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

Y070-1858 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 Y070-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1858?
Check Price and Availability of Y070-1858, 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 Y070-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1858
  • 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 Y070-1858 available by request