E635-0650 Screening compound: 3-(3-ethoxypropyl)-1-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}urea

E635-0650 Screening compound: 3-(3-ethoxypropyl)-1-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}urea
E635-0650 Screening compound: 3-(3-ethoxypropyl)-1-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0650
3-(3-ethoxypropyl)-1-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]ethyl}urea

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

E635-0650

Molecular Formula

C21H32N4O2S (C21 H32 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)Cc2c1c(C(C)NC(NCCCOCC)=O)c(-n1cccc1)s2

InChI

InChI=1S/C21H32N4O2S/c1-4-24-13-9-17-18(15-24)28-20(25-11-6-7-12-25)19(17)16(3)23-21(26)22-10-8-14-27-5-2/h6-7,11-12,16H,4-5,8-10,13-15H2,1-3H3,(H2,22,23,26)/t16-/m0/s1

InChI Key

HHIRBKULJVWRKA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14906016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

0.444

Water Solubility, LogSw

-3.25

Polar Surface Area

50.885

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

E635-0650 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E635-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0650?
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What is the minimum amount of E635-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0650
  • 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 E635-0650 available by request