K284-4562 Screening compound: N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide

K284-4562 Screening compound: N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide
K284-4562 Screening compound: N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4562
N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide

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

K284-4562

Molecular Formula

C26H32N6O5S2 (C26 H32 N6 O5 S2)

Compound Name

N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-4-oxo-3-[(oxolan-2-yl)methyl]-2-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(CSC(N1CC2OCCC2)=Nc(cc(cc2)C(NCCCN3CCOCC3)=O)c2C1=O)Nc1nccs1

InChI

InChI=1S/C26H32N6O5S2/c33-22(30-25-28-7-14-38-25)17-39-26-29-21-15-18(23(34)27-6-2-8-31-9-12-36-13-10-31)4-5-20(21)24(35)32(26)16-19-3-1-11-37-19/h4-5,7,14-15,19H,1-3,6,8-13,16-17H2,(H,27,34)(H,28,30,33)/t19-/m1/s1

InChI Key

YFJYTQUGTPOIDN-LJQANCHMSA-N

MDL Number (MFCD)

MFCD15088348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.71

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-2.38

Polar Surface Area

104.199

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

K284-4562 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4562?
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What is the minimum amount of K284-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4562
  • 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 K284-4562 available by request