K284-4549 Screening compound: 4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide

K284-4549 Screening compound: 4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide
K284-4549 Screening compound: 4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4549
4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide

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

K284-4549

Molecular Formula

C28H28N4O4S (C28 H28 N4 O4 S)

Compound Name

4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide

IUPAC name

4-[(2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]-N-pentylbenzamide

SMILES

CCCCCNC(c1ccc(CN2C(SCc(cc3)ccc3[N+]([O-])=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C28H28N4O4S/c1-2-3-6-17-29-26(33)22-13-9-20(10-14-22)18-31-27(34)24-7-4-5-8-25(24)30-28(31)37-19-21-11-15-23(16-12-21)32(35)36/h4-5,7-16H,2-3,6,17-19H2,1H3,(H,29,33)

InChI Key

HVZSBWUIUAKMOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-4.91

Polar Surface Area

83.679

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K284-4549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4549?
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What is the minimum amount of K284-4549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4549
  • 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 K284-4549 available by request