D299-1137 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide

D299-1137 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
D299-1137 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(3-chloro-4-methylphenyl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1137
5-{bis[(furan-2-yl)methyl]amino}-N-(3-chloro-4-methylphenyl)-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

D299-1137

Molecular Formula

C24H23ClN4O5S (C24 H23 ClN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(nc1C(Nc2cc(Cl)c(C)cc2)=O)ncc1N(Cc1ccco1)Cc1ccco1)(=O)=O

InChI

InChI=1S/C24H23ClN4O5S/c1-3-35(31,32)24-26-13-21(22(28-24)23(30)27-17-9-8-16(2)20(25)12-17)29(14-18-6-4-10-33-18)15-19-7-5-11-34-19/h4-13H,3,14-15H2,1-2H3,(H,27,30)

InChI Key

RMWJWSYMGWMEKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12919099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.99

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

5.001

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-5.14

Polar Surface Area

89.719

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D299-1137 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 D299-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1137?
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What is the minimum amount of D299-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1137
  • 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 D299-1137 available by request