D299-1411 Screening compound: N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}pyrimidine-4-carboxamide

D299-1411 Screening compound: N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}pyrimidine-4-carboxamide
D299-1411 Screening compound: N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1411
N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)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

D299-1411

Molecular Formula

C27H27ClN4O4S (C27 H27 ClN4 O4 S)

Compound Name

N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}pyrimidine-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-(ethanesulfonyl)-5-{[(furan-2-yl)methyl][(4-methylphenyl)methyl]amino}pyrimidine-4-carboxamide

SMILES

CCS(c(nc1C(Nc2cccc(Cl)c2C)=O)ncc1N(Cc1ccco1)Cc1ccc(C)cc1)(=O)=O

InChI

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

InChI Key

PMJFOJVDHKFSBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915468

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

5.509

Distribution Coefficient, logD

5.399

Water Solubility, LogSw

-5.83

Polar Surface Area

81.273

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D299-1411 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 D299-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1411?
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What is the minimum amount of D299-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1411
  • 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 D299-1411 available by request