G345-0087 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

G345-0087 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]benzamide
G345-0087 Screening compound: 4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G345-0087
4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-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

G345-0087

Molecular Formula

C23H21N3O5S (C23 H21 N3 O5 S)

Compound Name

4-[(6,7-dimethoxy-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

4-[(67-dimethoxy-24-dioxo-1234-tetrahydroquinazolin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]benzamide

SMILES

COc(c(OC)c1)cc(C(N2Cc(cc3)ccc3C(NCc3cccs3)=O)=O)c1NC2=O

InChI

InChI=1S/C23H21N3O5S/c1-30-19-10-17-18(11-20(19)31-2)25-23(29)26(22(17)28)13-14-5-7-15(8-6-14)21(27)24-12-16-4-3-9-32-16/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,29)

InChI Key

RCEGZLVVKHWSPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.49

Polar Surface Area

81.173

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G345-0087 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G345-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G345-0087?
Check Price and Availability of G345-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G345-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G345-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G345-0087
  • 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 G345-0087 available by request