E635-0294 Screening compound: methyl 3-[({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)amino]propanoate

E635-0294 Screening compound: methyl 3-[({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)amino]propanoate
E635-0294 Screening compound: methyl 3-[({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0294
methyl 3-[({4-methyl-1-[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]pentyl}carbamoyl)amino]propanoate

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

E635-0294

Molecular Formula

C23H34N4O3S (C23 H34 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCC(c1c(-n2cccc2)sc2c1CCN(C)C2)NC(NCCC(OC)=O)=O

InChI

InChI=1S/C23H34N4O3S/c1-16(2)7-8-18(25-23(29)24-11-9-20(28)30-4)21-17-10-14-26(3)15-19(17)31-22(21)27-12-5-6-13-27/h5-6,12-13,16,18H,7-11,14-15H2,1-4H3,(H2,24,25,29)/t18-/m0/s1

InChI Key

KDFLEWJMZHMFJF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14905965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.61

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

3.315

Distribution Coefficient, logD

0.755

Water Solubility, LogSw

-3.76

Polar Surface Area

63.893

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.50

E635-0294 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E635-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0294?
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What is the minimum amount of E635-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0294
  • 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 E635-0294 available by request