E002-1002 Screening compound: 1-(4-ethylphenyl)-3-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea

E002-1002 Screening compound: 1-(4-ethylphenyl)-3-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
E002-1002 Screening compound: 1-(4-ethylphenyl)-3-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1002
1-(4-ethylphenyl)-3-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-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

E002-1002

Molecular Formula

C23H27N3OS (C23 H27 N3 OS)

Compound Name

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

IUPAC name

1-(4-ethylphenyl)-3-{1-[2-(1H-pyrrol-1-yl)-4567-tetrahydro-1-benzothiophen-3-yl]ethyl}urea

SMILES

CCc(cc1)ccc1NC(NC(C)c1c(-n2cccc2)sc2c1CCCC2)=O

InChI

InChI=1S/C23H27N3OS/c1-3-17-10-12-18(13-11-17)25-23(27)24-16(2)21-19-8-4-5-9-20(19)28-22(21)26-14-6-7-15-26/h6-7,10-16H,3-5,8-9H2,1-2H3,(H2,24,25,27)/t16-/m0/s1

InChI Key

BKJVOKMNCBBQIL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14834955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.172

Distribution Coefficient, logD

6.172

Water Solubility, LogSw

-5.34

Polar Surface Area

38.002

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E002-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1002?
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What is the minimum amount of E002-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1002
  • 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 E002-1002 available by request