E635-0711 Screening compound: ethyl 3-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

E635-0711 Screening compound: ethyl 3-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate
E635-0711 Screening compound: ethyl 3-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0711
ethyl 3-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]-3-phenylpropanoate

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

E635-0711

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)Cc2c1c(CNC(NC(CC(OCC)=O)c1ccccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C26H32N4O3S/c1-3-29-15-12-20-21(25(34-23(20)18-29)30-13-8-9-14-30)17-27-26(32)28-22(16-24(31)33-4-2)19-10-6-5-7-11-19/h5-11,13-14,22H,3-4,12,15-18H2,1-2H3,(H2,27,28,32)/t22-/m0/s1

InChI Key

YXMWYAOZMDJJDL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14906060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

2.429

Water Solubility, LogSw

-4.00

Polar Surface Area

63.420

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

E635-0711 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E635-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0711?
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What is the minimum amount of E635-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0711
  • 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 E635-0711 available by request