K786-1530 Screening compound: 3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

K786-1530 Screening compound: 3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate
K786-1530 Screening compound: 3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1530
3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

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

K786-1530

Molecular Formula

C20H13BrFN3O5S (C20 H13 BrFN3 O5 S)

Compound Name

3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

IUPAC name

3-nitrophenyl 2-({[(4-bromo-2-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

SMILES

[O-][N+](c1cccc(OC(c2cccnc2SCC(Nc(ccc(Br)c2)c2F)=O)=O)c1)=O

InChI

InChI=1S/C20H13BrFN3O5S/c21-12-6-7-17(16(22)9-12)24-18(26)11-31-19-15(5-2-8-23-19)20(27)30-14-4-1-3-13(10-14)25(28)29/h1-10H,11H2,(H,24,26)

InChI Key

BIGXRVUCGJDDGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.544

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.59

Polar Surface Area

85.357

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with K786-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1530?
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What is the minimum amount of K786-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1530
  • 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 K786-1530 available by request