K781-1380 Screening compound: 1-(4-bromobenzenesulfonyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

K781-1380 Screening compound: 1-(4-bromobenzenesulfonyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
K781-1380 Screening compound: 1-(4-bromobenzenesulfonyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1380
1-(4-bromobenzenesulfonyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

K781-1380

Molecular Formula

C20H13BrF2N2O2S2 (C20 H13 BrF2 N2 O2 S2)

Compound Name

1-(4-bromobenzenesulfonyl)-2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-(4-bromobenzenesulfonyl)-2-{[(26-difluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

O=S(c(cc1)ccc1Br)(n1c(SCc(c(F)ccc2)c2F)nc2c1cccc2)=O

InChI

InChI=1S/C20H13BrF2N2O2S2/c21-13-8-10-14(11-9-13)29(26,27)25-19-7-2-1-6-18(19)24-20(25)28-12-15-16(22)4-3-5-17(15)23/h1-11H,12H2

InChI Key

BWDIGWAQKXPRFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.235

Distribution Coefficient, logD

6.235

Water Solubility, LogSw

-6.17

Polar Surface Area

36.864

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with K781-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1380?
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What is the minimum amount of K781-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1380
  • 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 K781-1380 available by request