D705-0646 Screening compound: ethyl 3-(2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamido)benzoate

D705-0646 Screening compound: ethyl 3-(2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamido)benzoate
D705-0646 Screening compound: ethyl 3-(2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D705-0646
ethyl 3-(2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamido)benzoate

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

D705-0646

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

ethyl 3-(2-{4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamido)benzoate

IUPAC name

ethyl 3-(2-{4-[3-(propan-2-yl)-124-oxadiazol-5-yl]phenoxy}acetamido)benzoate

SMILES

CCOC(c1cc(NC(COc(cc2)ccc2-c2nc(C(C)C)no2)=O)ccc1)=O

InChI

InChI=1S/C22H23N3O5/c1-4-28-22(27)16-6-5-7-17(12-16)23-19(26)13-29-18-10-8-15(9-11-18)21-24-20(14(2)3)25-30-21/h5-12,14H,4,13H2,1-3H3,(H,23,26)

InChI Key

BQKGEPXKTKAOPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11704973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.958

Water Solubility, LogSw

-4.57

Polar Surface Area

83.046

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D705-0646 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D705-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D705-0646?
Check Price and Availability of D705-0646, 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 D705-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D705-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D705-0646
  • 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 D705-0646 available by request