E635-0429 Screening compound: methyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)amino]propanoate

E635-0429 Screening compound: methyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)amino]propanoate
E635-0429 Screening compound: methyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}carbamoyl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0429
methyl 3-[({1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}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

E635-0429

Molecular Formula

C24H36N4O3S (C24 H36 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)Cc2c1c(C(CCC(C)C)NC(NCCC(OC)=O)=O)c(-n1cccc1)s2

InChI

InChI=1S/C24H36N4O3S/c1-5-27-15-11-18-20(16-27)32-23(28-13-6-7-14-28)22(18)19(9-8-17(2)3)26-24(30)25-12-10-21(29)31-4/h6-7,13-14,17,19H,5,8-12,15-16H2,1-4H3,(H2,25,26,30)/t19-/m0/s1

InChI Key

OCCFPJXCBAFACZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14905979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-3.88

Polar Surface Area

63.953

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

E635-0429 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

MCL1 Targeted Library (12200 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
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E635-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0429?
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What is the minimum amount of E635-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0429
  • 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 E635-0429 available by request