8010-2745 Screening compound: 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-3,4-dihydroquinazolin-4-one

8010-2745 Screening compound: 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-3,4-dihydroquinazolin-4-one
8010-2745 Screening compound: 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2745
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-3,4-dihydroquinazolin-4-one

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

8010-2745

Molecular Formula

C16H9F3N4O5S (C16 H9 F3 N4 O5 S)

Compound Name

2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[26-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methyl-34-dihydroquinazolin-4-one

SMILES

CN1C(Sc(c([N+]([O-])=O)cc(C(F)(F)F)c2)c2[N+]([O-])=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C16H9F3N4O5S/c1-21-14(24)9-4-2-3-5-10(9)20-15(21)29-13-11(22(25)26)6-8(16(17,18)19)7-12(13)23(27)28/h2-7H,1H3

InChI Key

VCFHYLUJOWPCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.33

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.272

Water Solubility, LogSw

-3.91

Polar Surface Area

91.969

Acid Dissociation Constant (pKa)

35.28

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8010-2745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2745?
Check Price and Availability of 8010-2745, 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 8010-2745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2745
  • 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 8010-2745 available by request