1501-0715 Screening compound: N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

1501-0715 Screening compound: N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
1501-0715 Screening compound: N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-0715
N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

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

1501-0715

Molecular Formula

C18H16Cl3N3OS (C18 H16 Cl3 N3 OS)

Compound Name

N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

IUPAC name

N-{222-trichloro-1-[(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

SMILES

N#Cc1c(NC(C(Cl)(Cl)Cl)NC(c2ccccc2)=O)sc2c1CCCC2

InChI

InChI=1S/C18H16Cl3N3OS/c19-18(20,21)17(23-15(25)11-6-2-1-3-7-11)24-16-13(10-22)12-8-4-5-9-14(12)26-16/h1-3,6-7,17,24H,4-5,8-9H2,(H,23,25)/t17-/m0/s1

InChI Key

OJELFPXQWGAYBY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00667516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-5.16

Polar Surface Area

50.221

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 1501-0715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-0715?
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What is the minimum amount of 1501-0715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-0715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-0715
  • 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 1501-0715 available by request