D299-1087 Screening compound: N-(2-chlorophenyl)-2-(ethanesulfonyl)-5-{[(2-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide

D299-1087 Screening compound: N-(2-chlorophenyl)-2-(ethanesulfonyl)-5-{[(2-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide
D299-1087 Screening compound: N-(2-chlorophenyl)-2-(ethanesulfonyl)-5-{[(2-fluorophenyl)methyl][(furan-2-yl)methyl]amino}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1087
N-(2-chlorophenyl)-2-(ethanesulfonyl)-5-{[(2-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

D299-1087

Molecular Formula

C25H22ClFN4O4S (C25 H22 ClFN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(nc1C(Nc(cccc2)c2Cl)=O)ncc1N(Cc1ccco1)Cc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C25H22ClFN4O4S/c1-2-36(33,34)25-28-14-22(23(30-25)24(32)29-21-12-6-4-10-19(21)26)31(16-18-9-7-13-35-18)15-17-8-3-5-11-20(17)27/h3-14H,2,15-16H2,1H3,(H,29,32)

InChI Key

JUWVSKYYXSFJGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12914703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.99

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

4.755

Distribution Coefficient, logD

4.687

Water Solubility, LogSw

-4.77

Polar Surface Area

81.273

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D299-1087 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 D299-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1087?
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What is the minimum amount of D299-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1087
  • 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 D299-1087 available by request