Y200-1113 Screening compound: N2,N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-2,5-dicarboxamide

Y200-1113 Screening compound: N2,N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-2,5-dicarboxamide
Y200-1113 Screening compound: N2,N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-1113
N2,N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-2,5-dicarboxamide

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

Y200-1113

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

N2,N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-2,5-dicarboxamide

IUPAC name

N2N5-bis[2-methyl-6-(propan-2-yl)phenyl]pyridine-25-dicarboxamide

SMILES

CC(C)c(cccc1C)c1NC(c(cc1)cnc1C(Nc1c(C(C)C)cccc1C)=O)=O

InChI

InChI=1S/C27H31N3O2/c1-16(2)21-11-7-9-18(5)24(21)29-26(31)20-13-14-23(28-15-20)27(32)30-25-19(6)10-8-12-22(25)17(3)4/h7-17H,1-6H3,(H,29,31)(H,30,32)

InChI Key

YRNSQFOCFHMREP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03395007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.402

Distribution Coefficient, logD

4.402

Water Solubility, LogSw

-4.22

Polar Surface Area

52.767

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

Y200-1113 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 Y200-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-1113?
Check Price and Availability of Y200-1113, 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 Y200-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-1113
  • 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 Y200-1113 available by request