C710-0126 Screening compound: 1-hydroxy-2-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

C710-0126 Screening compound: 1-hydroxy-2-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one
C710-0126 Screening compound: 1-hydroxy-2-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C710-0126
1-hydroxy-2-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

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

C710-0126

Molecular Formula

C19H18N4O6 (C19 H18 N4 O6)

Compound Name

1-hydroxy-2-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydro-1,2,4-benzotriazin-3-one

IUPAC name

1-hydroxy-2-[3-(345-trimethoxyphenyl)-12-oxazol-5-yl]-1234-tetrahydro-124-benzotriazin-3-one

SMILES

COc1cc(-c2noc(N(C(Nc3c4cccc3)=O)N4O)c2)cc(OC)c1OC

InChI

InChI=1S/C19H18N4O6/c1-26-15-8-11(9-16(27-2)18(15)28-3)13-10-17(29-21-13)22-19(24)20-12-6-4-5-7-14(12)23(22)25/h4-10,25H,1-3H3,(H,20,24)

InChI Key

JPGZJKNCEZNHJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-3.18

Polar Surface Area

93.736

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C710-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C710-0126?
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What is the minimum amount of C710-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C710-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C710-0126
  • 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 C710-0126 available by request