E002-1452 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea

E002-1452 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
E002-1452 Screening compound: 1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1452
1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}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

E002-1452

Molecular Formula

C21H22ClN3O2S (C21 H22 ClN3 O2 S)

Compound Name

1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea

IUPAC name

1-(5-chloro-2-methoxyphenyl)-3-{[2-(1H-pyrrol-1-yl)-4567-tetrahydro-1-benzothiophen-3-yl]methyl}urea

SMILES

COc(ccc(Cl)c1)c1NC(NCc1c(-n2cccc2)sc2c1CCCC2)=O

InChI

InChI=1S/C21H22ClN3O2S/c1-27-18-9-8-14(22)12-17(18)24-21(26)23-13-16-15-6-2-3-7-19(15)28-20(16)25-10-4-5-11-25/h4-5,8-12H,2-3,6-7,13H2,1H3,(H2,23,24,26)

InChI Key

MHZVDQLCRFHYCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.390

Distribution Coefficient, logD

5.390

Water Solubility, LogSw

-5.82

Polar Surface Area

45.771

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E002-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1452?
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What is the minimum amount of E002-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1452
  • 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 E002-1452 available by request