G714-0081 Screening compound: methyl 3-({[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate

G714-0081 Screening compound: methyl 3-({[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate
G714-0081 Screening compound: methyl 3-({[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G714-0081
methyl 3-({[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate

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

G714-0081

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

methyl 3-({[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate

IUPAC name

methyl 3-({[(1-acetyl-23-dihydro-1H-indol-5-yl)methyl]carbamoyl}amino)thiophene-2-carboxylate

SMILES

CC(N(CC1)c2c1cc(CNC(Nc1c(C(OC)=O)scc1)=O)cc2)=O

InChI

InChI=1S/C18H19N3O4S/c1-11(22)21-7-5-13-9-12(3-4-15(13)21)10-19-18(24)20-14-6-8-26-16(14)17(23)25-2/h3-4,6,8-9H,5,7,10H2,1-2H3,(H2,19,20,24)

InChI Key

LZUNQWSVJNHDJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.767

Water Solubility, LogSw

-2.56

Polar Surface Area

71.776

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G714-0081 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G714-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G714-0081?
Check Price and Availability of G714-0081, 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 G714-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G714-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G714-0081
  • 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 G714-0081 available by request