8007-7925 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate

8007-7925 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate
8007-7925 Screening compound: 2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7925
2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate

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

8007-7925

Molecular Formula

C19H11ClF2N2O6 (C19 H11 ClF2 N2 O6)

Compound Name

2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate

IUPAC name

2-methoxy-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenyl 2-chloro-45-difluorobenzoate

SMILES

COc(cc(C=C(C(NC(N1)=O)=O)C1=O)cc1)c1OC(c(cc(c(F)c1)F)c1Cl)=O

InChI

InChI=1S/C19H11ClF2N2O6/c1-29-15-5-8(4-10-16(25)23-19(28)24-17(10)26)2-3-14(15)30-18(27)9-6-12(21)13(22)7-11(9)20/h2-7H,1H3,(H2,23,24,25,26,28)

InChI Key

HTKRAUNYCJTFII-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.80

Polar Surface Area

90.738

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 8007-7925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7925?
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What is the minimum amount of 8007-7925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7925
  • 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 8007-7925 available by request