0649-0119 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide

0649-0119 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide
0649-0119 Screening compound: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0649-0119
N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide

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

0649-0119

Molecular Formula

C14H11Cl3N4O4S (C14 H11 Cl3 N4 O4 S)

Compound Name

N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide

IUPAC name

N-(222-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)furan-2-carboxamide

SMILES

[O-][N+](c1cccc(NC(NC(C(Cl)(Cl)Cl)NC(c2ccco2)=O)=S)c1)=O

InChI

InChI=1S/C14H11Cl3N4O4S/c15-14(16,17)12(19-11(22)10-5-2-6-25-10)20-13(26)18-8-3-1-4-9(7-8)21(23)24/h1-7,12H,(H,19,22)(H2,18,20,26)/t12-/m0/s1

InChI Key

IEQPDLAAHDKKBD-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00268280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.489

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.91

Polar Surface Area

85.320

Acid Dissociation Constant (pKa)

7.14

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

0649-0119 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 0649-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0649-0119?
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What is the minimum amount of 0649-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0649-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0649-0119
  • 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 0649-0119 available by request