1491-0282 Screening compound: 2-fluoro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide

1491-0282 Screening compound: 2-fluoro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide
1491-0282 Screening compound: 2-fluoro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0282
2-fluoro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide

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

1491-0282

Molecular Formula

C11H11Cl3FN3O2S (C11 H11 Cl3 FN3 O2 S)

Compound Name

2-fluoro-N-(2,2,2-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide

IUPAC name

2-fluoro-N-(222-trichloro-1-{[(3-hydroxyphenyl)carbamothioyl]amino}ethyl)acetamide

SMILES

Oc1cccc(NC(NC(C(Cl)(Cl)Cl)NC(CF)=O)=S)c1

InChI

InChI=1S/C11H11Cl3FN3O2S/c12-11(13,14)9(17-8(20)5-15)18-10(21)16-6-2-1-3-7(19)4-6/h1-4,9,19H,5H2,(H,17,20)(H2,16,18,21)/t9-/m0/s1

InChI Key

JFFVWAHKQMYDBI-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00268313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-2.18

Polar Surface Area

61.035

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

1491-0282 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1491-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0282?
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What is the minimum amount of 1491-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0282
  • 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 1491-0282 available by request