D002-0013 Screening compound: 1-[(2R

D002-0013 Screening compound: 1-[(2R
D002-0013 Screening compound: 1-[(2R alternative view

Chemical Structure Depiction of ChemDiv screening compound D002-0013
1-[(2R

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

D002-0013

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

1-[(2R

IUPAC name

n/a

SMILES

CC(N1N=C2C(CC3)CCN3[C@H]2[C@H]1c1cc(OC)ccc1)=O

InChI

InChI=1S/C17H21N3O2/c1-11(21)20-16(13-4-3-5-14(10-13)22-2)17-15(18-20)12-6-8-19(17)9-7-12/h3-5,10,12,16-17H,6-9H2,1-2H3/t16-,17+/m1/s1

InChI Key

LJONFYLZQUHJHQ-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.56

Polar Surface Area

37.086

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

D002-0013 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D002-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D002-0013?
Check Price and Availability of D002-0013, 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 D002-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D002-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D002-0013
  • 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 D002-0013 available by request