Y070-0993 Screening compound: 2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide

Y070-0993 Screening compound: 2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide
Y070-0993 Screening compound: 2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0993
2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-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

Y070-0993

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide

IUPAC name

2-(benzylsulfanyl)-5-chloro-N-(2-nitrophenyl)pyrimidine-4-carboxamide

SMILES

[O-][N+](c(cccc1)c1NC(c(nc(nc1)SCc2ccccc2)c1Cl)=O)=O

InChI

InChI=1S/C18H13ClN4O3S/c19-13-10-20-18(27-11-12-6-2-1-3-7-12)22-16(13)17(24)21-14-8-4-5-9-15(14)23(25)26/h1-10H,11H2,(H,21,24)

InChI Key

KFYRCRRLFYDVRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03212482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-4.51

Polar Surface Area

74.026

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

Y070-0993 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with Y070-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0993?
Check Price and Availability of Y070-0993, 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 Y070-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0993
  • 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 Y070-0993 available by request