C700-2195 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)acetate

C700-2195 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)acetate
C700-2195 Screening compound: methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-2195
methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)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

C700-2195

Molecular Formula

C15H19N3O3 (C15 H19 N3 O3)

Compound Name

methyl 2-({1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carbonyl}amino)acetate

IUPAC name

methyl 2-({1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-5-carbonyl}amino)acetate

SMILES

COC(CNC(N1c(cccc2)c2N(CCC2)C2C1)=O)=O

InChI

InChI=1S/C15H19N3O3/c1-21-14(19)9-16-15(20)18-10-11-5-4-8-17(11)12-6-2-3-7-13(12)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,20)/t11-/m1/s1

InChI Key

HSGIEHYXSWRILO-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14785851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.454

Distribution Coefficient, logD

1.454

Water Solubility, LogSw

-1.93

Polar Surface Area

49.471

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

C700-2195 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C700-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-2195?
Check Price and Availability of C700-2195, 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 C700-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-2195
  • 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 C700-2195 available by request