D299-1041 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

D299-1041 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
D299-1041 Screening compound: N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1041
N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}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

D299-1041

Molecular Formula

C27H27FN4O4S (C27 H27 FN4 O4 S)

Compound Name

N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

IUPAC name

N-(25-dimethylphenyl)-2-(ethanesulfonyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc2c(C)ccc(C)c2)=O)c1N(Cc1ccco1)Cc(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C27H27FN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-14-18(2)7-8-19(23)3)32(17-22-6-5-13-36-22)16-20-9-11-21(28)12-10-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)

InChI Key

CTMAGTJNGFZZBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.348

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.18

Polar Surface Area

81.273

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D299-1041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D299-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1041?
Check Price and Availability of D299-1041, 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 D299-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1041
  • 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 D299-1041 available by request