K284-1313 Screening compound: methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate

K284-1313 Screening compound: methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
K284-1313 Screening compound: methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1313
methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate

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

K284-1313

Molecular Formula

C25H22N4O7S2 (C25 H22 N4 O7 S2)

Compound Name

methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-34-dihydroquinazoline-7-carboxylate

SMILES

COC(c(cc1)cc(N=C(N2CCc(cc3)ccc3S(N)(=O)=O)SCc3cc([N+]([O-])=O)ccc3)c1C2=O)=O

InChI

InChI=1S/C25H22N4O7S2/c1-36-24(31)18-7-10-21-22(14-18)27-25(37-15-17-3-2-4-19(13-17)29(32)33)28(23(21)30)12-11-16-5-8-20(9-6-16)38(26,34)35/h2-10,13-14H,11-12,15H2,1H3,(H2,26,34,35)

InChI Key

HHDAQCLUGQCSEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.6

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.96

Polar Surface Area

130.908

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K284-1313 in Drug Discovery

Included in Screening Libraries

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 K284-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1313?
Check Price and Availability of K284-1313, 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 K284-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1313
  • 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 K284-1313 available by request