C759-0197 Screening compound: N-[2-(dibutylamino)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C759-0197 Screening compound: N-[2-(dibutylamino)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C759-0197 Screening compound: N-[2-(dibutylamino)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C759-0197
N-[2-(dibutylamino)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

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

C759-0197

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

N-[2-(dibutylamino)ethyl]-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-[2-(dibutylamino)ethyl]-2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

CCCCN(CCCC)CCNC(CC1Oc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C20H31N3O3/c1-3-5-12-23(13-6-4-2)14-11-21-19(24)15-18-20(25)22-16-9-7-8-10-17(16)26-18/h7-10,18H,3-6,11-15H2,1-2H3,(H,21,24)(H,22,25)/t18-/m0/s1

InChI Key

VMALATCGKLNXBX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14791769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-3.25

Polar Surface Area

61.273

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C759-0197 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C759-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C759-0197?
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What is the minimum amount of C759-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C759-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C759-0197
  • 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 C759-0197 available by request