E631-0136 Screening compound: 8-chloro-N~6~-(3-methoxybenzyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

E631-0136 Screening compound: 8-chloro-N~6~-(3-methoxybenzyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide
E631-0136 Screening compound: 8-chloro-N~6~-(3-methoxybenzyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E631-0136
8-chloro-N~6~-(3-methoxybenzyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

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

E631-0136

Molecular Formula

C21H19ClN2O4 (C21 H19 ClN2 O4)

Compound Name

8-chloro-N~6~-(3-methoxybenzyl)-2-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

IUPAC name

8-chloro-N-[(3-methoxyphenyl)methyl]-3-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{513}]trideca-5(13)6811-tetraene-11-carboxamide

SMILES

CC(C1)Oc(ccc(Cl)c23)c3N1C=C(C(NCc1cc(OC)ccc1)=O)C2=O

InChI

InChI=1S/C21H19ClN2O4/c1-12-10-24-11-15(20(25)18-16(22)6-7-17(28-12)19(18)24)21(26)23-9-13-4-3-5-14(8-13)27-2/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)/t12-/m1/s1

InChI Key

RHILRWORDUUWKU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14905407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.81

Polar Surface Area

55.888

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with E631-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E631-0136?
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What is the minimum amount of E631-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E631-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E631-0136
  • 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 E631-0136 available by request