2123-0028 Screening compound: 2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4,5-difluorobenzamide

2123-0028 Screening compound: 2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4,5-difluorobenzamide
2123-0028 Screening compound: 2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4,5-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2123-0028
2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4,5-difluorobenzamide

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

2123-0028

Molecular Formula

C19H10Cl2F2N2O3S (C19 H10 Cl2 F2 N2 O3 S)

Compound Name

2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-4,5-difluorobenzamide

IUPAC name

2-chloro-N-{3-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}-45-difluorobenzamide

SMILES

[O-][N+](c1cc(NC(c(cc(c(F)c2)F)c2Cl)=O)cc(Sc(cc2)ccc2Cl)c1)=O

InChI

InChI=1S/C19H10Cl2F2N2O3S/c20-10-1-3-13(4-2-10)29-14-6-11(5-12(7-14)25(27)28)24-19(26)15-8-17(22)18(23)9-16(15)21/h1-9H,(H,24,26)

InChI Key

VKOCFDWXQTXVON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.749

Distribution Coefficient, logD

5.936

Water Solubility, LogSw

-6.69

Polar Surface Area

56.440

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2123-0028 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2123-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2123-0028?
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What is the minimum amount of 2123-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2123-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2123-0028
  • 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 2123-0028 available by request