F067-0694 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

F067-0694 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
F067-0694 Screening compound: 2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0694
2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-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

F067-0694

Molecular Formula

C27H30N4O3S (C27 H30 N4 O3 S)

Compound Name

2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl}-N3-bis(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2CC(C)C)SCC(c3c[nH]c4c3cccc4)=O)c1C2=O)=O

InChI

InChI=1S/C27H30N4O3S/c1-16(2)12-29-25(33)18-9-10-20-23(11-18)30-27(31(26(20)34)14-17(3)4)35-15-24(32)21-13-28-22-8-6-5-7-19(21)22/h5-11,13,16-17,28H,12,14-15H2,1-4H3,(H,29,33)

InChI Key

OKHNONQRDOUNSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.833

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.65

Polar Surface Area

73.845

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F067-0694 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F067-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0694?
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What is the minimum amount of F067-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0694
  • 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 F067-0694 available by request