3909-7785 Screening compound: N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

3909-7785 Screening compound: N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
3909-7785 Screening compound: N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-7785
N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

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

3909-7785

Molecular Formula

C29H23FN4O5S (C29 H23 FN4 O5 S)

Compound Name

N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

IUPAC name

N-{3-[(4-fluorophenyl)sulfanyl]-5-nitrophenyl}-2-(345-trimethoxyphenyl)quinazolin-4-amine

SMILES

COc1cc(-c2nc3ccccc3c(Nc3cc(Sc(cc4)ccc4F)cc([N+]([O-])=O)c3)n2)cc(OC)c1OC

InChI

InChI=1S/C29H23FN4O5S/c1-37-25-12-17(13-26(38-2)27(25)39-3)28-32-24-7-5-4-6-23(24)29(33-28)31-19-14-20(34(35)36)16-22(15-19)40-21-10-8-18(30)9-11-21/h4-16H,1-3H3,(H,31,32,33)

InChI Key

PRQXNESHKRLKKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.798

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-6.13

Polar Surface Area

83.893

Acid Dissociation Constant (pKa)

17.51

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3909-7785 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3909-7785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-7785?
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What is the minimum amount of 3909-7785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-7785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-7785
  • 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 3909-7785 available by request