G714-0129 Screening compound: methyl 4-chloro-2-({[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate

G714-0129 Screening compound: methyl 4-chloro-2-({[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate
G714-0129 Screening compound: methyl 4-chloro-2-({[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G714-0129
methyl 4-chloro-2-({[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate

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

G714-0129

Molecular Formula

C21H22ClN3O4 (C21 H22 ClN3 O4)

Compound Name

methyl 4-chloro-2-({[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate

IUPAC name

methyl 4-chloro-2-({[(1-propanoyl-23-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)benzoate

SMILES

CCC(N(CC1)c2c1cc(CNC(Nc(cc(cc1)Cl)c1C(OC)=O)=O)cc2)=O

InChI

InChI=1S/C21H22ClN3O4/c1-3-19(26)25-9-8-14-10-13(4-7-18(14)25)12-23-21(28)24-17-11-15(22)5-6-16(17)20(27)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,24,28)

InChI Key

VBPGUGBYSSYQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.58

Polar Surface Area

69.763

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G714-0129 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G714-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G714-0129?
Check Price and Availability of G714-0129, 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 G714-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G714-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G714-0129
  • 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 G714-0129 available by request