K781-1566 Screening compound: N-(2,4-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine

K781-1566 Screening compound: N-(2,4-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine
K781-1566 Screening compound: N-(2,4-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1566
N-(2,4-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine

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

K781-1566

Molecular Formula

C18H15Cl2N5O3S (C18 H15 Cl2 N5 O3 S)

Compound Name

N-(2,4-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-1,3,4-thiadiazol-2-amine

IUPAC name

N-(24-dichlorophenyl)-5-[4-(morpholin-4-yl)-3-nitrophenyl]-134-thiadiazol-2-amine

SMILES

[O-][N+](c(cc(cc1)-c2nnc(Nc(ccc(Cl)c3)c3Cl)s2)c1N1CCOCC1)=O

InChI

InChI=1S/C18H15Cl2N5O3S/c19-12-2-3-14(13(20)10-12)21-18-23-22-17(29-18)11-1-4-15(16(9-11)25(26)27)24-5-7-28-8-6-24/h1-4,9-10H,5-8H2,(H,21,23)

InChI Key

LDRHQWJNLGZICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02653242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-6.00

Polar Surface Area

75.867

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K781-1566 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-1566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1566?
Check Price and Availability of K781-1566, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K781-1566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1566
  • 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 K781-1566 available by request