D045-0011 Screening compound: 2-hydroxy-5-(1-hydroxy-3-oxo-1,2,3,4-tetrahydro-1,2,4-benzotriazin-2-yl)benzoic acid

D045-0011 Screening compound: 2-hydroxy-5-(1-hydroxy-3-oxo-1,2,3,4-tetrahydro-1,2,4-benzotriazin-2-yl)benzoic acid
D045-0011 Screening compound: 2-hydroxy-5-(1-hydroxy-3-oxo-1,2,3,4-tetrahydro-1,2,4-benzotriazin-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D045-0011
2-hydroxy-5-(1-hydroxy-3-oxo-1,2,3,4-tetrahydro-1,2,4-benzotriazin-2-yl)benzoic acid

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

D045-0011

Molecular Formula

C14H11N3O5 (C14 H11 N3 O5)

Compound Name

2-hydroxy-5-(1-hydroxy-3-oxo-1,2,3,4-tetrahydro-1,2,4-benzotriazin-2-yl)benzoic acid

IUPAC name

2-hydroxy-5-(1-hydroxy-3-oxo-1234-tetrahydro-124-benzotriazin-2-yl)benzoic acid

SMILES

OC(c(cc(cc1)N(C(Nc2c3cccc2)=O)N3O)c1O)=O

InChI

InChI=1S/C14H11N3O5/c18-12-6-5-8(7-9(12)13(19)20)16-14(21)15-10-3-1-2-4-11(10)17(16)22/h1-7,18,22H,(H,15,21)(H,19,20)

InChI Key

QHRLOBIAIAVPJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.439

Distribution Coefficient, logD

-0.578

Water Solubility, LogSw

-2.93

Polar Surface Area

93.571

Acid Dissociation Constant (pKa)

4.38

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D045-0011 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D045-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D045-0011?
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What is the minimum amount of D045-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D045-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D045-0011
  • 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 D045-0011 available by request