E015-0455 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide

E015-0455 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide
E015-0455 Screening compound: 4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0455
4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide

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

E015-0455

Molecular Formula

C21H23ClN2O4 (C21 H23 ClN2 O4)

Compound Name

4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide

IUPAC name

4-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-N-[(3-methoxyphenyl)methyl]-4-oxobutanamide

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(CCC(NCc1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C21H23ClN2O4/c1-14-13-24(18-11-16(22)6-7-19(18)28-14)21(26)9-8-20(25)23-12-15-4-3-5-17(10-15)27-2/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1

InChI Key

GYVMROIKQOLPBM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14838161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.54

Polar Surface Area

54.088

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E015-0455 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 E015-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0455?
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What is the minimum amount of E015-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0455
  • 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 E015-0455 available by request