G629-0161 Screening compound: N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

G629-0161 Screening compound: N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide
G629-0161 Screening compound: N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0161
N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

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

G629-0161

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]benzamide

IUPAC name

N-cyclopentyl-4-[(2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)methyl]benzamide

SMILES

Cc1c(CSC(N2Cc(cc3)ccc3C(NC3CCCC3)=O)=Nc(cccc3)c3C2=O)cccc1

InChI

InChI=1S/C29H29N3O2S/c1-20-8-2-3-9-23(20)19-35-29-31-26-13-7-6-12-25(26)28(34)32(29)18-21-14-16-22(17-15-21)27(33)30-24-10-4-5-11-24/h2-3,6-9,12-17,24H,4-5,10-11,18-19H2,1H3,(H,30,33)

InChI Key

YJWOEKXICOCWEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.942

Distribution Coefficient, logD

5.942

Water Solubility, LogSw

-5.39

Polar Surface Area

50.276

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with G629-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0161?
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What is the minimum amount of G629-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0161
  • 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 G629-0161 available by request