G714-0085 Screening compound: 1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-methylurea

G714-0085 Screening compound: 1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-methylurea
G714-0085 Screening compound: 1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound G714-0085
1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-methylurea

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

G714-0085

Molecular Formula

C13H17N3O2 (C13 H17 N3 O2)

Compound Name

1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-methylurea

IUPAC name

1-[(1-acetyl-23-dihydro-1H-indol-5-yl)methyl]-3-methylurea

SMILES

CC(N(CC1)c2c1cc(CNC(NC)=O)cc2)=O

InChI

InChI=1S/C13H17N3O2/c1-9(17)16-6-5-11-7-10(3-4-12(11)16)8-15-13(18)14-2/h3-4,7H,5-6,8H2,1-2H3,(H2,14,15,18)

InChI Key

FKDQPOOQRONXSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.148

Distribution Coefficient, logD

0.148

Water Solubility, LogSw

-1.79

Polar Surface Area

52.026

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G714-0085 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with G714-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G714-0085?
Check Price and Availability of G714-0085, 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 G714-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G714-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G714-0085
  • 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 G714-0085 available by request