D664-0087 Screening compound: 2-chloro-5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}benzoic acid

D664-0087 Screening compound: 2-chloro-5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}benzoic acid
D664-0087 Screening compound: 2-chloro-5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0087
2-chloro-5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}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

D664-0087

Molecular Formula

C17H16ClN3O3 (C17 H16 ClN3 O3)

Compound Name

2-chloro-5-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}benzoic acid

IUPAC name

2-chloro-5-{[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methyl]amino}benzoic acid

SMILES

CN(c(ccc(CNc(cc1)cc(C(O)=O)c1Cl)c1)c1N1C)C1=O

InChI

InChI=1S/C17H16ClN3O3/c1-20-14-6-3-10(7-15(14)21(2)17(20)24)9-19-11-4-5-13(18)12(8-11)16(22)23/h3-8,19H,9H2,1-2H3,(H,22,23)

InChI Key

RTDQPBLCOQDRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07610660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

-0.876

Water Solubility, LogSw

-3.41

Polar Surface Area

56.566

Acid Dissociation Constant (pKa)

3.60

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D664-0087 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D664-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0087?
Check Price and Availability of D664-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D664-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0087
  • 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 D664-0087 available by request