E015-1175 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-1175 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-1175 Screening compound: N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1175
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-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

E015-1175

Molecular Formula

C26H33ClN4O3 (C26 H33 ClN4 O3)

Compound Name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

IUPAC name

N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

Cc(cc1)cc2c1OCCN2C(CCC(NCCN(CC1)CCN1c1c(C)ccc(Cl)c1)=O)=O

InChI

InChI=1S/C26H33ClN4O3/c1-19-3-6-24-23(17-19)31(15-16-34-24)26(33)8-7-25(32)28-9-10-29-11-13-30(14-12-29)22-18-21(27)5-4-20(22)2/h3-6,17-18H,7-16H2,1-2H3,(H,28,32)

InChI Key

NZUPTJUELFALOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.045

Water Solubility, LogSw

-3.68

Polar Surface Area

54.230

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E015-1175 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 E015-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1175?
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What is the minimum amount of E015-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1175
  • 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 E015-1175 available by request