E015-0696 Screening compound: N-(4-CHLOROPHENYL)-4-(2,6-DIMETHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-OXOBUTANAMIDE

E015-0696 Screening compound: N-(4-CHLOROPHENYL)-4-(2,6-DIMETHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-OXOBUTANAMIDE
E015-0696 Screening compound: N-(4-CHLOROPHENYL)-4-(2,6-DIMETHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-OXOBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0696
N-(4-CHLOROPHENYL)-4-(2,6-DIMETHYL-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

E015-0696

Molecular Formula

C20H21ClN2O3 (C20 H21 ClN2 O3)

Compound Name

N-(4-CHLOROPHENYL)-4-(2,6-DIMETHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-4-YL)-4-OXOBUTANAMIDE

IUPAC name

N-(4-chlorophenyl)-4-(26-dimethyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

CC(C1)Oc(ccc(C)c2)c2N1C(CCC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H21ClN2O3/c1-13-3-8-18-17(11-13)23(12-14(2)26-18)20(25)10-9-19(24)22-16-6-4-15(21)5-7-16/h3-8,11,14H,9-10,12H2,1-2H3,(H,22,24)/t14-/m1/s1

InChI Key

DZITTWKBBLKNIU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14838199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.36

Polar Surface Area

45.222

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with E015-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0696?
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What is the minimum amount of E015-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0696
  • 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 E015-0696 available by request