D299-0891 Screening compound: 5-{[(furan-2-yl)methyl][(3-methoxyphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide

D299-0891 Screening compound: 5-{[(furan-2-yl)methyl][(3-methoxyphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
D299-0891 Screening compound: 5-{[(furan-2-yl)methyl][(3-methoxyphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-0891
5-{[(furan-2-yl)methyl][(3-methoxyphenyl)methyl]amino}-2-methanesulfonyl-N-(2-methylphenyl)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

D299-0891

Molecular Formula

C26H26N4O5S (C26 H26 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(c(nc(nc1)S(C)(=O)=O)c1N(Cc1ccco1)Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C26H26N4O5S/c1-18-8-4-5-12-22(18)28-25(31)24-23(15-27-26(29-24)36(3,32)33)30(17-21-11-7-13-35-21)16-19-9-6-10-20(14-19)34-2/h4-15H,16-17H2,1-3H3,(H,28,31)

InChI Key

LMPUMMATYWCQQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

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

3.478

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-3.79

Polar Surface Area

89.529

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D299-0891 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 D299-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-0891?
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What is the minimum amount of D299-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-0891
  • 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 D299-0891 available by request