C648-0389 Screening compound: ethyl 2-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate

C648-0389 Screening compound: ethyl 2-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate
C648-0389 Screening compound: ethyl 2-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0389
ethyl 2-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate

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

C648-0389

Molecular Formula

C17H22N4O7S (C17 H22 N4 O7 S)

Compound Name

ethyl 2-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate

IUPAC name

ethyl 2-[3-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)propanamido]acetate

SMILES

CCOC(CNC(CCNS(c(cc1)cc(C(N2C)=O)c1N(C)C2=O)(=O)=O)=O)=O

InChI

InChI=1S/C17H22N4O7S/c1-4-28-15(23)10-18-14(22)7-8-19-29(26,27)11-5-6-13-12(9-11)16(24)21(3)17(25)20(13)2/h5-6,9,19H,4,7-8,10H2,1-3H3,(H,18,22)

InChI Key

GZNFIYPFUJIRJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.269

Distribution Coefficient, logD

0.269

Water Solubility, LogSw

-2.54

Polar Surface Area

117.843

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C648-0389 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C648-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0389?
Check Price and Availability of C648-0389, 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 C648-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0389
  • 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 C648-0389 available by request