8013-9761 Screening compound: 1-(3-fluorophenyl)-5-{(E)-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione

8013-9761 Screening compound: 1-(3-fluorophenyl)-5-{(E)-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
8013-9761 Screening compound: 1-(3-fluorophenyl)-5-{(E)-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9761
1-(3-fluorophenyl)-5-{(E)-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione

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

8013-9761

Molecular Formula

C23H17F2N3O3 (C23 H17 F2 N3 O3)

Compound Name

1-(3-fluorophenyl)-5-{(E)-1-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

(5E)-1-(3-fluorophenyl)-5-{[1-(3-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-13-diazinane-246-trione

SMILES

Cc1cc(/C=C(\C(NC(N2c3cccc(F)c3)=O)=O)/C2=O)c(C)n1-c1cc(F)ccc1

InChI

InChI=1S/C23H17F2N3O3/c1-13-9-15(14(2)27(13)18-7-3-5-16(24)11-18)10-20-21(29)26-23(31)28(22(20)30)19-8-4-6-17(25)12-19/h3-12H,1-2H3,(H,26,29,31)

InChI Key

SINZPVZTZOPMNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02778197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.42

Polar Surface Area

56.056

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8013-9761 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 8013-9761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9761
  • 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 8013-9761 available by request