8137-0117 Screening compound: 3-methyl-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

8137-0117 Screening compound: 3-methyl-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
8137-0117 Screening compound: 3-methyl-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0117
3-methyl-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-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

8137-0117

Molecular Formula

C25H25N3O5 (C25 H25 N3 O5)

Compound Name

3-methyl-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

IUPAC name

3-methyl-N-[5-oxo-7-(345-trimethoxyphenyl)-5678-tetrahydroquinazolin-2-yl]benzamide

SMILES

Cc1cccc(C(Nc(nc2)nc(CC(C3)c(cc4OC)cc(OC)c4OC)c2C3=O)=O)c1

InChI

InChI=1S/C25H25N3O5/c1-14-6-5-7-15(8-14)24(30)28-25-26-13-18-19(27-25)9-16(10-20(18)29)17-11-21(31-2)23(33-4)22(12-17)32-3/h5-8,11-13,16H,9-10H2,1-4H3,(H,26,27,28,30)/t16-/m1/s1

InChI Key

JWZOZGQCMZBHIJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04188524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.508

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-3.61

Polar Surface Area

80.932

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8137-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0117?
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What is the minimum amount of 8137-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0117
  • 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 8137-0117 available by request