C716-0887 Screening compound: methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

C716-0887 Screening compound: methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
C716-0887 Screening compound: methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0887
methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

C716-0887

Molecular Formula

C24H25N3O6S2 (C24 H25 N3 O6 S2)

Compound Name

methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 2-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CC(C)(C)c(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(Nc(cccc1)c1C(OC)=O)=O)(=O)=O

InChI

InChI=1S/C24H25N3O6S2/c1-24(2,3)15-9-11-16(12-10-15)35(31,32)19-13-25-23(27-21(19)29)34-14-20(28)26-18-8-6-5-7-17(18)22(30)33-4/h5-13H,14H2,1-4H3,(H,26,28)(H,25,27,29)

InChI Key

DNGFKTGCWWTWJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-3.80

Polar Surface Area

107.616

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C716-0887 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C716-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0887?
Check Price and Availability of C716-0887, 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 C716-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0887
  • 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 C716-0887 available by request