1490-0194 Screening compound: 3-nitro-N-[2,2,2-trichloro-1-(4-methylbenzenesulfonyl)ethyl]benzamide

1490-0194 Screening compound: 3-nitro-N-[2,2,2-trichloro-1-(4-methylbenzenesulfonyl)ethyl]benzamide
1490-0194 Screening compound: 3-nitro-N-[2,2,2-trichloro-1-(4-methylbenzenesulfonyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0194
3-nitro-N-[2,2,2-trichloro-1-(4-methylbenzenesulfonyl)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

1490-0194

Molecular Formula

C16H13Cl3N2O5S (C16 H13 Cl3 N2 O5 S)

Compound Name

3-nitro-N-[2,2,2-trichloro-1-(4-methylbenzenesulfonyl)ethyl]benzamide

IUPAC name

3-nitro-N-[222-trichloro-1-(4-methylbenzenesulfonyl)ethyl]benzamide

SMILES

Cc(cc1)ccc1S(C(C(Cl)(Cl)Cl)NC(c1cc([N+]([O-])=O)ccc1)=O)(=O)=O

InChI

InChI=1S/C16H13Cl3N2O5S/c1-10-5-7-13(8-6-10)27(25,26)15(16(17,18)19)20-14(22)11-3-2-4-12(9-11)21(23)24/h2-9,15H,1H3,(H,20,22)/t15-/m0/s1

InChI Key

LZJDKYHORLVNCD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00667499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-4.61

Polar Surface Area

87.457

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-13.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1490-0194 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1490-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0194?
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What is the minimum amount of 1490-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0194
  • 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 1490-0194 available by request