D472-0723 Screening compound: 2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione

D472-0723 Screening compound: 2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
D472-0723 Screening compound: 2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0723
2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione

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

D472-0723

Molecular Formula

C28H25FN6O2 (C28 H25 FN6 O2)

Compound Name

2-{1-[7-(4-fluorophenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione

IUPAC name

2-{1-[10-(4-fluorophenyl)-1112-dimethyl-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaen-4-yl]-3-methylbutyl}-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C)CC(c1nn(cnc2c3c(C)c(C)n2-c(cc2)ccc2F)c3n1)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C28H25FN6O2/c1-15(2)13-22(35-27(36)20-7-5-6-8-21(20)28(35)37)24-31-26-23-16(3)17(4)34(19-11-9-18(29)10-12-19)25(23)30-14-33(26)32-24/h5-12,14-15,22H,13H2,1-4H3/t22-/m0/s1

InChI Key

XXFCCGYAOXQOBH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14830772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.184

Water Solubility, LogSw

-5.60

Polar Surface Area

61.267

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D472-0723 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0723?
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What is the minimum amount of D472-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0723
  • 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 D472-0723 available by request