E002-1466 Screening compound: 1-(3-bromophenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea

E002-1466 Screening compound: 1-(3-bromophenyl)-3-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
E002-1466 Screening compound: 1-(3-bromophenyl)-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 E002-1466
1-(3-bromophenyl)-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

E002-1466

Molecular Formula

C20H20BrN3OS (C20 H20 BrN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1c(-n2cccc2)sc2c1CCCC2)Nc1cccc(Br)c1

InChI

InChI=1S/C20H20BrN3OS/c21-14-6-5-7-15(12-14)23-20(25)22-13-17-16-8-1-2-9-18(16)26-19(17)24-10-3-4-11-24/h3-7,10-12H,1-2,8-9,13H2,(H2,22,23,25)

InChI Key

UVRSDFAXDYGNMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-5.87

Polar Surface Area

38.839

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E002-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1466?
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What is the minimum amount of E002-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1466
  • 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 E002-1466 available by request