D400-1588 Screening compound: 1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

D400-1588 Screening compound: 1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide
D400-1588 Screening compound: 1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1588
1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

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

D400-1588

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-cyclohexyl-N-{2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]phenyl}-5-oxopyrrolidine-3-carboxamide

SMILES

COc(cc1)ccc1-c1noc(-c(cccc2)c2NC(C(C2)CN(C3CCCCC3)C2=O)=O)n1

InChI

InChI=1S/C26H28N4O4/c1-33-20-13-11-17(12-14-20)24-28-26(34-29-24)21-9-5-6-10-22(21)27-25(32)18-15-23(31)30(16-18)19-7-3-2-4-8-19/h5-6,9-14,18-19H,2-4,7-8,15-16H2,1H3,(H,27,32)/t18-/m1/s1

InChI Key

YFRNXBKYPVMIIG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14827086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.27

Polar Surface Area

78.164

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D400-1588 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D400-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1588?
Check Price and Availability of D400-1588, 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 D400-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1588
  • 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 D400-1588 available by request