1900-3265 Screening compound: 2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide

1900-3265 Screening compound: 2-nitro-N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}benzamide
1900-3265 Screening compound: 2-nitro-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 1900-3265
2-nitro-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

1900-3265

Molecular Formula

C18H15Cl3N4O3S (C18 H15 Cl3 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(NC(C(Cl)(Cl)Cl)NC(c(cccc2)c2[N+]([O-])=O)=O)sc2c1CCCC2

InChI

InChI=1S/C18H15Cl3N4O3S/c19-18(20,21)17(23-15(26)11-6-1-3-7-13(11)25(27)28)24-16-12(9-22)10-5-2-4-8-14(10)29-16/h1,3,6-7,17,24H,2,4-5,8H2,(H,23,26)/t17-/m0/s1

InChI Key

HUIGASRORMGLJT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00696387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.818

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-5.15

Polar Surface Area

83.301

Acid Dissociation Constant (pKa)

5.14

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 1900-3265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1900-3265?
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What is the minimum amount of 1900-3265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1900-3265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1900-3265
  • 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 1900-3265 available by request