D299-0825 Screening compound: 5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

D299-0825 Screening compound: 5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
D299-0825 Screening compound: 5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0825
5-{[(furan-2-yl)methyl][(4-methylphenyl)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

D299-0825

Molecular Formula

C26H26N4O4S (C26 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(Cc2ccco2)c(cn2)c(C(Nc3c(C)cccc3)=O)nc2S(C)(=O)=O)cc1

InChI

InChI=1S/C26H26N4O4S/c1-18-10-12-20(13-11-18)16-30(17-21-8-6-14-34-21)23-15-27-26(35(3,32)33)29-24(23)25(31)28-22-9-5-4-7-19(22)2/h4-15H,16-17H2,1-3H3,(H,28,31)

InChI Key

SRBSJDPWQCXEGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

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

3.846

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.75

Polar Surface Area

81.985

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D299-0825 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D299-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0825?
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What is the minimum amount of D299-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0825
  • 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 D299-0825 available by request