G345-0533 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

G345-0533 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione
G345-0533 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0533
3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

G345-0533

Molecular Formula

C31H32FN3O5 (C31 H32 FN3 O5)

Compound Name

3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroquinazoline-24-dione

SMILES

COc(c(OC)c1)cc(C(N2Cc(cc3)ccc3C(N3CCCCCC3)=O)=O)c1N(Cc(cccc1)c1F)C2=O

InChI

InChI=1S/C31H32FN3O5/c1-39-27-17-24-26(18-28(27)40-2)34(20-23-9-5-6-10-25(23)32)31(38)35(30(24)37)19-21-11-13-22(14-12-21)29(36)33-15-7-3-4-8-16-33/h5-6,9-14,17-18H,3-4,7-8,15-16,19-20H2,1-2H3

InChI Key

WZSHZJNQJWKFOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.241

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.00

Polar Surface Area

63.507

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

References: we are preparing a list of scientific research reports with G345-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0533?
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What is the minimum amount of G345-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0533
  • 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 G345-0533 available by request