D664-0085 Screening compound: 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic acid

D664-0085 Screening compound: 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic acid
D664-0085 Screening compound: 3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D664-0085
3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic 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

D664-0085

Molecular Formula

C18H19N3O3 (C18 H19 N3 O3)

Compound Name

3-{[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic acid

IUPAC name

3-{[(13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)methyl]amino}-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1NCc(cc1)cc(N2C)c1N(C)C2=O

InChI

InChI=1S/C18H19N3O3/c1-11-4-6-13(17(22)23)9-14(11)19-10-12-5-7-15-16(8-12)21(3)18(24)20(15)2/h4-9,19H,10H2,1-3H3,(H,22,23)

InChI Key

QPXYLAJBVUKTDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07610494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

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

2.981

Distribution Coefficient, logD

0.517

Water Solubility, LogSw

-2.94

Polar Surface Area

55.868

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D664-0085 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D664-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D664-0085?
Check Price and Availability of D664-0085, 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 D664-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D664-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D664-0085
  • 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 D664-0085 available by request