G745-1130 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

G745-1130 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
G745-1130 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-1130
N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

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

G745-1130

Molecular Formula

C18H12F2N6O3 (C18 H12 F2 N6 O3)

Compound Name

N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

IUPAC name

N-{[1-(34-difluorophenyl)-1H-1234-tetrazol-5-yl]methyl}-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)NCc1nnnn1-c(cc1)cc(F)c1F

InChI

InChI=1S/C18H12F2N6O3/c19-13-6-5-10(7-14(13)20)26-15(22-23-24-26)8-21-16(27)9-25-17(28)11-3-1-2-4-12(11)18(25)29/h1-7H,8-9H2,(H,21,27)

InChI Key

KUMURIDEGWZJFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08320952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.520

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-2.52

Polar Surface Area

94.279

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G745-1130 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G745-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-1130?
Check Price and Availability of G745-1130, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G745-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-1130
  • 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 G745-1130 available by request