C700-1335 Screening compound: N-(3-methoxypropyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

C700-1335 Screening compound: N-(3-methoxypropyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
C700-1335 Screening compound: N-(3-methoxypropyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1335
N-(3-methoxypropyl)-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

C700-1335

Molecular Formula

C14H18N2O4 (C14 H18 N2 O4)

Compound Name

N-(3-methoxypropyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide

IUPAC name

N-(3-methoxypropyl)-2-(3-oxo-34-dihydro-2H-14-benzoxazin-2-yl)acetamide

SMILES

COCCCNC(CC1Oc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C14H18N2O4/c1-19-8-4-7-15-13(17)9-12-14(18)16-10-5-2-3-6-11(10)20-12/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1

InChI Key

ZAOVEXLAFOEDNO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14785423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.594

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-1.78

Polar Surface Area

65.697

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C700-1335 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C700-1335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1335?
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What is the minimum amount of C700-1335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1335
  • 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 C700-1335 available by request