K280-0567 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide

K280-0567 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
K280-0567 Screening compound: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0567
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide

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

K280-0567

Molecular Formula

C28H31N7OS (C28 H31 N7 OS)

Compound Name

2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide

IUPAC name

2-({2-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide

SMILES

CCC(C(NCc1ccc(C)cc1)=O)Sc1nc(cccc2)c2c2nc(CCc3c(C)[nH]nc3C)nn12

InChI

InChI=1S/C28H31N7OS/c1-5-24(27(36)29-16-20-12-10-17(2)11-13-20)37-28-30-23-9-7-6-8-22(23)26-31-25(34-35(26)28)15-14-21-18(3)32-33-19(21)4/h6-13,24H,5,14-16H2,1-4H3,(H,29,36)(H,32,33)/t24-/m0/s1

InChI Key

XBNJNFWIOKFRRP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15087555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-5.18

Polar Surface Area

79.387

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

K280-0567 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K280-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0567?
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What is the minimum amount of K280-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0567
  • 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 K280-0567 available by request