D299-0589 Screening compound: 5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

D299-0589 Screening compound: 5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
D299-0589 Screening compound: 5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0589
5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)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

D299-0589

Molecular Formula

C24H24N4O4S2 (C24 H24 N4 O4 S2)

Compound Name

5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

IUPAC name

5-{[(furan-2-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

SMILES

Cc1c(CN(Cc2ccco2)c(cn2)c(C(Nc3c(C)cccc3)=O)nc2S(C)(=O)=O)scc1

InChI

InChI=1S/C24H24N4O4S2/c1-16-7-4-5-9-19(16)26-23(29)22-20(13-25-24(27-22)34(3,30)31)28(14-18-8-6-11-32-18)15-21-17(2)10-12-33-21/h4-13H,14-15H2,1-3H3,(H,26,29)

InChI Key

XTQYHPAOUIQWNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-3.81

Polar Surface Area

83.004

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D299-0589 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D299-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0589?
Check Price and Availability of D299-0589, 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 D299-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0589
  • 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 D299-0589 available by request