D490-0979 Screening compound: 4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

D490-0979 Screening compound: 4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
D490-0979 Screening compound: 4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0979
4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

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

D490-0979

Molecular Formula

C23H17ClN4O3S (C23 H17 ClN4 O3 S)

Compound Name

4-(4-chlorophenyl)-2-{[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

IUPAC name

4-(4-chlorophenyl)-2-{[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]sulfanyl}-6-oxo-16-dihydropyrimidine-5-carbonitrile

SMILES

N#CC(C(N1)=O)=C(c(cc2)ccc2Cl)N=C1SCCCCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C23H17ClN4O3S/c24-15-9-7-14(8-10-15)19-18(13-25)20(29)27-23(26-19)32-12-4-3-11-28-21(30)16-5-1-2-6-17(16)22(28)31/h1-2,5-10H,3-4,11-12H2,(H,26,27,29)

InChI Key

MYXMNAOLBFGDNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

0.553

Water Solubility, LogSw

-4.70

Polar Surface Area

80.941

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D490-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0979
  • 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 D490-0979 available by request