C716-0891 Screening compound: methyl 4-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

C716-0891 Screening compound: methyl 4-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
C716-0891 Screening compound: methyl 4-(2-{[5-(4-tert-butylbenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0891
methyl 4-(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

C716-0891

Molecular Formula

C24H25N3O6S2 (C24 H25 N3 O6 S2)

Compound Name

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

IUPAC name

methyl 4-(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(cc1)ccc1C(OC)=O)=O)(=O)=O

InChI

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

InChI Key

GUENVXUPAWUEDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787613

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

3.904

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-4.04

Polar Surface Area

108.314

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C716-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0891?
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What is the minimum amount of C716-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0891
  • 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 C716-0891 available by request