K284-1072 Screening compound: N,N'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanediamide

K284-1072 Screening compound: N,N'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanediamide
K284-1072 Screening compound: N,N'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1072
N,N'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanediamide

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

K284-1072

Molecular Formula

C38H36F3N5O4S (C38 H36 F3 N5 O4 S)

Compound Name

N,N'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]propanediamide

IUPAC name

NN'-dibenzyl-2-[(4-oxo-3-pentyl-7-{[3-(trifluoromethyl)phenyl]carbamoyl}-34-dihydroquinazolin-2-yl)sulfanyl]propanediamide

SMILES

CCCCCN1C(SC(C(NCc2ccccc2)=O)C(NCc2ccccc2)=O)=Nc(cc(cc2)C(Nc3cc(C(F)(F)F)ccc3)=O)c2C1=O

InChI

InChI=1S/C38H36F3N5O4S/c1-2-3-10-20-46-36(50)30-19-18-27(33(47)44-29-17-11-16-28(22-29)38(39,40)41)21-31(30)45-37(46)51-32(34(48)42-23-25-12-6-4-7-13-25)35(49)43-24-26-14-8-5-9-15-26/h4-9,11-19,21-22,32H,2-3,10,20,23-24H2,1H3,(H,42,48)(H,43,49)(H,44,47)

InChI Key

JIYHHQMOKZZEAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

715.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.750

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-5.65

Polar Surface Area

98.210

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.70

K284-1072 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K284-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1072?
Check Price and Availability of K284-1072, 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 K284-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1072
  • 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 K284-1072 available by request