G345-0537 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

G345-0537 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
G345-0537 Screening compound: 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0537
3-{[4-(azepane-1-carbonyl)phenyl]methyl}-6,7-dimethoxy-1-[(3-methylphenyl)methyl]-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

G345-0537

Molecular Formula

C32H35N3O5 (C32 H35 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(c(cc(c(OC)c2)OC)c2C(N2Cc(cc3)ccc3C(N3CCCCCC3)=O)=O)C2=O)c1

InChI

InChI=1S/C32H35N3O5/c1-22-9-8-10-24(17-22)21-34-27-19-29(40-3)28(39-2)18-26(27)31(37)35(32(34)38)20-23-11-13-25(14-12-23)30(36)33-15-6-4-5-7-16-33/h8-14,17-19H,4-7,15-16,20-21H2,1-3H3

InChI Key

PPLMRZDCDGOTFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.65

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

5.747

Distribution Coefficient, logD

5.747

Water Solubility, LogSw

-5.25

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

34.40

References: we are preparing a list of scientific research reports with G345-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0537?
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What is the minimum amount of G345-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0537
  • 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 G345-0537 available by request