C800-1257 Screening compound: 4-{[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}benzoic acid

C800-1257 Screening compound: 4-{[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}benzoic acid
C800-1257 Screening compound: 4-{[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-1257
4-{[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}benzoic acid

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

C800-1257

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

4-{[2,3-dioxo-4-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}benzoic acid

IUPAC name

4-{[23-dioxo-4-(prop-2-en-1-yl)-1234-tetrahydroquinoxalin-1-yl]methyl}benzoic acid

SMILES

C=CCN(c(cccc1)c1N(Cc(cc1)ccc1C(O)=O)C1=O)C1=O

InChI

InChI=1S/C19H16N2O4/c1-2-11-20-15-5-3-4-6-16(15)21(18(23)17(20)22)12-13-7-9-14(10-8-13)19(24)25/h2-10H,1,11-12H2,(H,24,25)

InChI Key

JLDVIDBFPVRWSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14280877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

-0.047

Water Solubility, LogSw

-3.22

Polar Surface Area

59.181

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C800-1257 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C800-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-1257?
Check Price and Availability of C800-1257, 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 C800-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-1257
  • 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 C800-1257 available by request