E635-0614 Screening compound: ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

E635-0614 Screening compound: ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate
E635-0614 Screening compound: ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0614
ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}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

E635-0614

Molecular Formula

C25H30N4O3S (C25 H30 N4 O3 S)

Compound Name

ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

IUPAC name

ethyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

SMILES

CCN(CC1)Cc2c1c(C(C)NC(Nc1cc(C(OCC)=O)ccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C25H30N4O3S/c1-4-28-14-11-20-21(16-28)33-23(29-12-6-7-13-29)22(20)17(3)26-25(31)27-19-10-8-9-18(15-19)24(30)32-5-2/h6-10,12-13,15,17H,4-5,11,14,16H2,1-3H3,(H2,26,27,31)/t17-/m0/s1

InChI Key

GHFHJOYZGDZIJJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14906001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-5.05

Polar Surface Area

62.226

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

E635-0614 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Purinergic Library (3321 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E635-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0614?
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What is the minimum amount of E635-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0614
  • 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 E635-0614 available by request