K231-0393 Screening compound: 3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one

K231-0393 Screening compound: 3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one
K231-0393 Screening compound: 3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K231-0393
3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one

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

K231-0393

Molecular Formula

C28H17Cl2N3O4S (C28 H17 Cl2 N3 O4 S)

Compound Name

3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-1,3,4-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one

IUPAC name

3-[5-({3-chloro-4-[(4-chloronaphthalen-1-yl)oxy]phenyl}amino)-134-thiadiazol-2-yl]-6-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(C=C2c3nnc(Nc(cc4)cc(Cl)c4Oc(c4ccccc44)ccc4Cl)s3)c1OC2=O

InChI

InChI=1S/C28H17Cl2N3O4S/c1-35-17-7-10-23-15(12-17)13-20(27(34)37-23)26-32-33-28(38-26)31-16-6-9-25(22(30)14-16)36-24-11-8-21(29)18-4-2-3-5-19(18)24/h2-14H,1H3,(H,31,33)

InChI Key

FKIGSBNFBJUTCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.157

Distribution Coefficient, logD

8.157

Water Solubility, LogSw

-6.66

Polar Surface Area

67.539

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

-6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with K231-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K231-0393?
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What is the minimum amount of K231-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K231-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K231-0393
  • 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 K231-0393 available by request