D247-0029 Screening compound: N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide

D247-0029 Screening compound: N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide
D247-0029 Screening compound: N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D247-0029
N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide

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

D247-0029

Molecular Formula

C20H20ClN3O5 (C20 H20 ClN3 O5)

Compound Name

N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide

IUPAC name

N-{1-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]ethyl}-345-trimethoxybenzamide

SMILES

CC(c1nc(-c(cccc2)c2Cl)no1)NC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C20H20ClN3O5/c1-11(20-23-18(24-29-20)13-7-5-6-8-14(13)21)22-19(25)12-9-15(26-2)17(28-4)16(10-12)27-3/h5-11H,1-4H3,(H,22,25)/t11-/m0/s1

InChI Key

XETSHJBWAKYKOK-NSHDSACASA-N

MDL Number (MFCD)

MFCD07789755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.14

Polar Surface Area

78.470

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D247-0029 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D247-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D247-0029?
Check Price and Availability of D247-0029, 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 D247-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D247-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D247-0029
  • 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 D247-0029 available by request