D698-0067 Screening compound: N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzamide

D698-0067 Screening compound: N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzamide
D698-0067 Screening compound: N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D698-0067
N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzamide

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

D698-0067

Molecular Formula

C17H16N4O6S (C17 H16 N4 O6 S)

Compound Name

N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamido)benzamide

IUPAC name

N-[(furan-2-yl)methyl]-2-(2-hydroxy-4-methyl-6-oxo-16-dihydropyrimidine-5-sulfonamido)benzamide

SMILES

CC(N=C(NC1=O)O)=C1S(Nc(cccc1)c1C(NCc1ccco1)=O)(=O)=O

InChI

InChI=1S/C17H16N4O6S/c1-10-14(16(23)20-17(24)19-10)28(25,26)21-13-7-3-2-6-12(13)15(22)18-9-11-5-4-8-27-11/h2-8,21H,9H2,1H3,(H,18,22)(H2,19,20,23,24)

InChI Key

RTEHFGNMWBPSOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.414

Distribution Coefficient, logD

-6.514

Water Solubility, LogSw

-2.27

Polar Surface Area

124.133

Acid Dissociation Constant (pKa)

0.47

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D698-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D698-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D698-0067?
Check Price and Availability of D698-0067, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D698-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D698-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D698-0067
  • 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 D698-0067 available by request