G859-0093 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G859-0093 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G859-0093 Screening compound: 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0093
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G859-0093

Molecular Formula

C28H28FN3O2S (C28 H28 FN3 O2 S)

Compound Name

2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(25-dimethylphenyl)methyl]sulfanyl}-NN-diethyl-3-(3-fluorophenyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CCN(CC)C(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCc3c(C)ccc(C)c3)c1C2=O)=O

InChI

InChI=1S/C28H28FN3O2S/c1-5-31(6-2)26(33)20-12-13-24-25(15-20)30-28(35-17-21-14-18(3)10-11-19(21)4)32(27(24)34)23-9-7-8-22(29)16-23/h7-16H,5-6,17H2,1-4H3

InChI Key

FOPPNJINUCRIPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.22

Polar Surface Area

41.092

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G859-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0093?
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What is the minimum amount of G859-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0093
  • 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 G859-0093 available by request