D002-0031 Screening compound: 1-[(2R

D002-0031 Screening compound: 1-[(2R
D002-0031 Screening compound: 1-[(2R alternative view

Chemical Structure Depiction of ChemDiv screening compound D002-0031
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

D002-0031

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

1-[(2R

IUPAC name

n/a

SMILES

CCCCOc1ccc([C@H]2N(C(C)=O)N=C3C(CC4)CCN4[C@@H]23)cc1

InChI

InChI=1S/C20H27N3O2/c1-3-4-13-25-17-7-5-16(6-8-17)19-20-18(21-23(19)14(2)24)15-9-11-22(20)12-10-15/h5-8,15,19-20H,3-4,9-13H2,1-2H3/t19-,20+/m1/s1

InChI Key

YQTNSZINFYGGQV-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.46

Polar Surface Area

36.960

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

D002-0031 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D002-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D002-0031?
Check Price and Availability of D002-0031, 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 D002-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D002-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D002-0031
  • 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 D002-0031 available by request