E015-1178 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-1178 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-1178 Screening compound: N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1178
N-{2-[(butan-2-yl)(cyclohexyl)amino]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

E015-1178

Molecular Formula

C25H39N3O3 (C25 H39 N3 O3)

Compound Name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

IUPAC name

N-{2-[(butan-2-yl)(cyclohexyl)amino]ethyl}-4-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

CCC(C)N(CCNC(CCC(N1c(cc(C)cc2)c2OCC1)=O)=O)C1CCCCC1

InChI

InChI=1S/C25H39N3O3/c1-4-20(3)27(21-8-6-5-7-9-21)15-14-26-24(29)12-13-25(30)28-16-17-31-23-11-10-19(2)18-22(23)28/h10-11,18,20-21H,4-9,12-17H2,1-3H3,(H,26,29)/t20-/m0/s1

InChI Key

PPFUDBJUIGBUQM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14838335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-3.87

Polar Surface Area

49.715

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with E015-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1178?
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What is the minimum amount of E015-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1178
  • 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 E015-1178 available by request