D299-0820 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(4-ethylphenyl)-2-methanesulfonylpyrimidine-4-carboxamide

D299-0820 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(4-ethylphenyl)-2-methanesulfonylpyrimidine-4-carboxamide
D299-0820 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(4-ethylphenyl)-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0820
5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(4-ethylphenyl)-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

D299-0820

Molecular Formula

C26H25ClN4O4S (C26 H25 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(c(nc(nc1)S(C)(=O)=O)c1N(Cc1ccco1)Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H25ClN4O4S/c1-3-18-8-12-21(13-9-18)29-25(32)24-23(15-28-26(30-24)36(2,33)34)31(17-22-5-4-14-35-22)16-19-6-10-20(27)11-7-19/h4-15H,3,16-17H2,1-2H3,(H,29,32)

InChI Key

TUZKFZCCETZLMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.03

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

4.955

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.92

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

19.20

D299-0820 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 D299-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0820?
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What is the minimum amount of D299-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0820
  • 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 D299-0820 available by request