G629-0009 Screening compound: 4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide

G629-0009 Screening compound: 4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide
G629-0009 Screening compound: 4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0009
4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide

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

G629-0009

Molecular Formula

C27H32N4O3S (C27 H32 N4 O3 S)

Compound Name

4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide

IUPAC name

4-[(2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]-N-propylbenzamide

SMILES

CCCNC(c1ccc(CN2C(SCC(NC3CCCCC3)=O)=Nc(cccc3)c3C2=O)cc1)=O

InChI

InChI=1S/C27H32N4O3S/c1-2-16-28-25(33)20-14-12-19(13-15-20)17-31-26(34)22-10-6-7-11-23(22)30-27(31)35-18-24(32)29-21-8-4-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-18H2,1H3,(H,28,33)(H,29,32)

InChI Key

NPUURFDTJMYNIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-3.86

Polar Surface Area

74.494

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with G629-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0009?
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What is the minimum amount of G629-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0009
  • 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 G629-0009 available by request