G629-0336 Screening compound: 4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)benzamide

G629-0336 Screening compound: 4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)benzamide
G629-0336 Screening compound: 4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G629-0336
4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)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

G629-0336

Molecular Formula

C27H24ClN3O4S (C27 H24 ClN3 O4 S)

Compound Name

4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)benzamide

IUPAC name

4-[(6-{[(2-chlorophenyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)methyl]-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c1ccc(CN2C(SCc(cccc3)c3Cl)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O

InChI

InChI=1S/C27H24ClN3O4S/c1-16(2)29-25(32)18-9-7-17(8-10-18)13-31-26(33)20-11-23-24(35-15-34-23)12-22(20)30-27(31)36-14-19-5-3-4-6-21(19)28/h3-12,16H,13-15H2,1-2H3,(H,29,32)

InChI Key

AFNJGKIAIYGKKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15023801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-5.81

Polar Surface Area

66.546

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G629-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G629-0336?
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What is the minimum amount of G629-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G629-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G629-0336
  • 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 G629-0336 available by request