D299-0496 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-2-methanesulfonylpyrimidine-4-carboxamide

D299-0496 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-2-methanesulfonylpyrimidine-4-carboxamide
D299-0496 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-2-methanesulfonylpyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0496
5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-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

D299-0496

Molecular Formula

C22H19BrN4O5S (C22 H19 BrN4 O5 S)

Compound Name

5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-2-methanesulfonylpyrimidine-4-carboxamide

IUPAC name

5-{bis[(furan-2-yl)methyl]amino}-N-(2-bromophenyl)-2-methanesulfonylpyrimidine-4-carboxamide

SMILES

CS(c(nc1C(Nc(cccc2)c2Br)=O)ncc1N(Cc1ccco1)Cc1ccco1)(=O)=O

InChI

InChI=1S/C22H19BrN4O5S/c1-33(29,30)22-24-12-19(20(26-22)21(28)25-18-9-3-2-8-17(18)23)27(13-15-6-4-10-31-15)14-16-7-5-11-32-16/h2-12H,13-14H2,1H3,(H,25,28)

InChI Key

YLYWRKUKBUXLNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08547099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.71

Polar Surface Area

89.734

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D299-0496 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 D299-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0496?
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What is the minimum amount of D299-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0496
  • 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 D299-0496 available by request