D299-0375 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide

D299-0375 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide
D299-0375 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0375
N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)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

D299-0375

Molecular Formula

C25H22ClFN4O5S (C25 H22 ClFN4 O5 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-5-{[(4-fluorophenyl)methyl][(furan-2-yl)methyl]amino}-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

COc(ccc(NC(c1nc(S(C)(=O)=O)ncc1N(Cc1ccco1)Cc(cc1)ccc1F)=O)c1)c1Cl

InChI

InChI=1S/C25H22ClFN4O5S/c1-35-22-10-9-18(12-20(22)26)29-24(32)23-21(13-28-25(30-23)37(2,33)34)31(15-19-4-3-11-36-19)14-16-5-7-17(27)8-6-16/h3-13H,14-15H2,1-2H3,(H,29,32)

InChI Key

PTISFBXXDMHVOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.99

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.28

Polar Surface Area

90.313

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D299-0375 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D299-0375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0375?
Check Price and Availability of D299-0375, 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 D299-0375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0375
  • 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 D299-0375 available by request