E521-1388 Screening compound: N-CYCLOHEXYL-4-(3-OXO-2-PHENYL-2,3-DIHYDRO-4H-PYRIDO[3,2-B][1,4]OXAZIN-4-YL)BUTANAMIDE

E521-1388 Screening compound: N-CYCLOHEXYL-4-(3-OXO-2-PHENYL-2,3-DIHYDRO-4H-PYRIDO[3,2-B][1,4]OXAZIN-4-YL)BUTANAMIDE
E521-1388 Screening compound: N-CYCLOHEXYL-4-(3-OXO-2-PHENYL-2,3-DIHYDRO-4H-PYRIDO[3,2-B][1,4]OXAZIN-4-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E521-1388
N-CYCLOHEXYL-4-(3-OXO-2-PHENYL-2,3-DIHYDRO-4H-PYRIDO[3,2-B][1,4]OXAZIN-4-YL)BUTANAMIDE

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

E521-1388

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N-CYCLOHEXYL-4-(3-OXO-2-PHENYL-2,3-DIHYDRO-4H-PYRIDO[3,2-B][1,4]OXAZIN-4-YL)BUTANAMIDE

IUPAC name

N-cyclohexyl-4-{3-oxo-2-phenyl-2H3H4H-pyrido[32-b][14]oxazin-4-yl}butanamide

SMILES

O=C(CCCN1c2ncccc2OC(c2ccccc2)C1=O)NC1CCCCC1

InChI

InChI=1S/C23H27N3O3/c27-20(25-18-11-5-2-6-12-18)14-8-16-26-22-19(13-7-15-24-22)29-21(23(26)28)17-9-3-1-4-10-17/h1,3-4,7,9-10,13,15,18,21H,2,5-6,8,11-12,14,16H2,(H,25,27)/t21-/m0/s1

InChI Key

WVTFIILVYVXYGU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14894442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.32

Polar Surface Area

57.259

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

E521-1388 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 E521-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E521-1388?
Check Price and Availability of E521-1388, 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 E521-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E521-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E521-1388
  • 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 E521-1388 available by request