D299-1381 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide

D299-1381 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
D299-1381 Screening compound: 5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1381
5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(2,5-dimethylphenyl)-2-(ethanesulfonyl)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

D299-1381

Molecular Formula

C27H27ClN4O4S (C27 H27 ClN4 O4 S)

Compound Name

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

IUPAC name

5-{[(4-chlorophenyl)methyl][(furan-2-yl)methyl]amino}-N-(25-dimethylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide

SMILES

CCS(c(nc1)nc(C(Nc2c(C)ccc(C)c2)=O)c1N(Cc1ccco1)Cc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C27H27ClN4O4S/c1-4-37(34,35)27-29-15-24(25(31-27)26(33)30-23-14-18(2)7-8-19(23)3)32(17-22-6-5-13-36-22)16-20-9-11-21(28)12-10-20/h5-15H,4,16-17H2,1-3H3,(H,30,33)

InChI Key

MAPHLWAVRMSWSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.05

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

4.914

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.90

Polar Surface Area

81.273

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D299-1381 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D299-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1381?
Check Price and Availability of D299-1381, 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 D299-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1381
  • 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 D299-1381 available by request