C716-0380 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide

C716-0380 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
C716-0380 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C716-0380
N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide

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

C716-0380

Molecular Formula

C22H22ClN3O4S2 (C22 H22 ClN3 O4 S2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-({6-oxo-5-[4-(propan-2-yl)benzenesulfonyl]-16-dihydropyrimidin-2-yl}sulfanyl)acetamide

SMILES

CC(C)c(cc1)ccc1S(C(C(N1)=O)=CN=C1SCC(Nc1cccc(Cl)c1C)=O)(=O)=O

InChI

InChI=1S/C22H22ClN3O4S2/c1-13(2)15-7-9-16(10-8-15)32(29,30)19-11-24-22(26-21(19)28)31-12-20(27)25-18-6-4-5-17(23)14(18)3/h4-11,13H,12H2,1-3H3,(H,25,27)(H,24,26,28)

InChI Key

YBFLOQNVQILYTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-4.44

Polar Surface Area

86.442

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C716-0380 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C716-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C716-0380?
Check Price and Availability of C716-0380, 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 C716-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C716-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C716-0380
  • 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 C716-0380 available by request