1491-0323 Screening compound: 3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

1491-0323 Screening compound: 3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide
1491-0323 Screening compound: 3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0323
3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]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

1491-0323

Molecular Formula

C17H15Cl4N3O2S (C17 H15 Cl4 N3 O2 S)

Compound Name

3-chloro-N-(2,2,2-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

IUPAC name

3-chloro-N-(222-trichloro-1-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)benzamide

SMILES

COc(cc1)ccc1NC(NC(C(Cl)(Cl)Cl)NC(c1cccc(Cl)c1)=O)=S

InChI

InChI=1S/C17H15Cl4N3O2S/c1-26-13-7-5-12(6-8-13)22-16(27)24-15(17(19,20)21)23-14(25)10-3-2-4-11(18)9-10/h2-9,15H,1H3,(H,23,25)(H2,22,24,27)/t15-/m0/s1

InChI Key

USTUCKNVMNWEAV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00361100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-4.91

Polar Surface Area

50.904

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 1491-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0323?
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What is the minimum amount of 1491-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0323
  • 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 1491-0323 available by request