D299-0852 Screening compound: N-(4-ethylphenyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide

D299-0852 Screening compound: N-(4-ethylphenyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide
D299-0852 Screening compound: N-(4-ethylphenyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0852
N-(4-ethylphenyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}-2-methanesulfonylpyrimidine-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

D299-0852

Molecular Formula

C27H28N4O4S (C27 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(c(nc(nc1)S(C)(=O)=O)c1N(Cc1ccco1)Cc1ccc(C)cc1)=O

InChI

InChI=1S/C27H28N4O4S/c1-4-20-11-13-22(14-12-20)29-26(32)25-24(16-28-27(30-25)36(3,33)34)31(18-23-6-5-15-35-23)17-21-9-7-19(2)8-10-21/h5-16H,4,17-18H2,1-3H3,(H,29,32)

InChI Key

IPHUIYGLKJOTSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08548788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

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

4.783

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.35

Polar Surface Area

82.683

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D299-0852 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 D299-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0852?
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What is the minimum amount of D299-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0852
  • 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 D299-0852 available by request