H010-0033C Screening compound: METHYL {N}-1'{H}-SPIRO[CYCLOHEXANE-1,2'-QUINOXALIN]-3'-YLGLYCINATE

H010-0033C Screening compound: METHYL {N}-1'{H}-SPIRO[CYCLOHEXANE-1,2'-QUINOXALIN]-3'-YLGLYCINATE
H010-0033C Screening compound: METHYL {N}-1'{H}-SPIRO[CYCLOHEXANE-1,2'-QUINOXALIN]-3'-YLGLYCINATE alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0033C
METHYL {N}-1'{H}-SPIRO[CYCLOHEXANE-1,2'-QUINOXALIN]-3'-YLGLYCINATE

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

H010-0033C

Molecular Formula

C16H21N3O2 (C16 H21 N3 O2)

Compound Name

METHYL {N}-1'{H}-SPIRO[CYCLOHEXANE-1,2'-QUINOXALIN]-3'-YLGLYCINATE

IUPAC name

n/a

SMILES

COC(CNC1=Nc(cccc2)c2NC11CCCCC1)=O

InChI

InChI=1S/C16H21N3O2/c1-21-14(20)11-17-15-16(9-5-2-6-10-16)19-13-8-4-3-7-12(13)18-15/h3-4,7-8,19H,2,5-6,9-11H2,1H3,(H,17,18)

InChI Key

GFXDWVILMMWIAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214244

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

2.221

Water Solubility, LogSw

-2.80

Polar Surface Area

53.079

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

H010-0033C in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with H010-0033C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0033C?
Check Price and Availability of H010-0033C, 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 H010-0033C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0033C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0033C
  • 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 H010-0033C available by request