D299-1142 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-2-(ethanesulfonyl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide

D299-1142 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-2-(ethanesulfonyl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
D299-1142 Screening compound: 5-{bis[(furan-2-yl)methyl]amino}-2-(ethanesulfonyl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D299-1142
5-{bis[(furan-2-yl)methyl]amino}-2-(ethanesulfonyl)-N-(4-fluorophenyl)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

D299-1142

Molecular Formula

C23H21FN4O5S (C23 H21 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(nc1)nc(C(Nc(cc2)ccc2F)=O)c1N(Cc1ccco1)Cc1ccco1)(=O)=O

InChI

InChI=1S/C23H21FN4O5S/c1-2-34(30,31)23-25-13-20(21(27-23)22(29)26-17-9-7-16(24)8-10-17)28(14-18-5-3-11-32-18)15-19-6-4-12-33-19/h3-13H,2,14-15H2,1H3,(H,26,29)

InChI Key

OCIWSAWFQOECOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

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

3.639

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.78

Polar Surface Area

89.719

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D299-1142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D299-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D299-1142?
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What is the minimum amount of D299-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D299-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D299-1142
  • 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 D299-1142 available by request