K216-0923 Screening compound: 2-{[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide

K216-0923 Screening compound: 2-{[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide
K216-0923 Screening compound: 2-{[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0923
2-{[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide

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

K216-0923

Molecular Formula

C23H24Cl2N4OS (C23 H24 Cl2 N4 OS)

Compound Name

2-{[5,6-bis(4-chlorophenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-butylbutanamide

IUPAC name

2-{[56-bis(4-chlorophenyl)-124-triazin-3-yl]sulfanyl}-N-butylbutanamide

SMILES

CCCCNC(C(CC)Sc1nnc(-c(cc2)ccc2Cl)c(-c(cc2)ccc2Cl)n1)=O

InChI

InChI=1S/C23H24Cl2N4OS/c1-3-5-14-26-22(30)19(4-2)31-23-27-20(15-6-10-17(24)11-7-15)21(28-29-23)16-8-12-18(25)13-9-16/h6-13,19H,3-5,14H2,1-2H3,(H,26,30)/t19-/m0/s1

InChI Key

CSKKELMSDHEQSB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15081333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

6.341

Water Solubility, LogSw

-6.26

Polar Surface Area

56.183

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

K216-0923 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K216-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0923?
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What is the minimum amount of K216-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0923
  • 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 K216-0923 available by request