F067-0101 Screening compound: methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

F067-0101 Screening compound: methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
F067-0101 Screening compound: methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0101
methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

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

F067-0101

Molecular Formula

C25H27N3O5S (C25 H27 N3 O5 S)

Compound Name

methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

IUPAC name

methyl 3-oxo-4-{[4-oxo-3-(2-phenylethyl)-7-(propylcarbamoyl)-34-dihydroquinazolin-2-yl]sulfanyl}butanoate

SMILES

CCCNC(c(cc1)cc(N=C(N2CCc3ccccc3)SCC(CC(OC)=O)=O)c1C2=O)=O

InChI

InChI=1S/C25H27N3O5S/c1-3-12-26-23(31)18-9-10-20-21(14-18)27-25(34-16-19(29)15-22(30)33-2)28(24(20)32)13-11-17-7-5-4-6-8-17/h4-10,14H,3,11-13,15-16H2,1-2H3,(H,26,31)

InChI Key

UYSKHIZTVJNIGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-3.27

Polar Surface Area

83.882

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with F067-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0101?
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What is the minimum amount of F067-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0101
  • 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 F067-0101 available by request