C607-0737 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one

C607-0737 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one
C607-0737 Screening compound: 3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0737
3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one

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

C607-0737

Molecular Formula

C27H23FN2O3 (C27 H23 FN2 O3)

Compound Name

3-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one

IUPAC name

3-{3-[(4-fluorophenyl)methyl]-13-diazinane-1-carbonyl}-4-phenyl-1H-isochromen-1-one

SMILES

O=C(C(O1)=C(c2ccccc2)c(cccc2)c2C1=O)N1CN(Cc(cc2)ccc2F)CCC1

InChI

InChI=1S/C27H23FN2O3/c28-21-13-11-19(12-14-21)17-29-15-6-16-30(18-29)26(31)25-24(20-7-2-1-3-8-20)22-9-4-5-10-23(22)27(32)33-25/h1-5,7-14H,6,15-18H2

InChI Key

VZYZTGAZYPWFLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.40

Polar Surface Area

41.896

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C607-0737 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C607-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0737?
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What is the minimum amount of C607-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0737
  • 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 C607-0737 available by request