D516-0369 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzamide

D516-0369 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzamide
D516-0369 Screening compound: N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0369
N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzamide

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

D516-0369

Molecular Formula

C26H25FN4O4 (C26 H25 FN4 O4)

Compound Name

N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzamide

IUPAC name

N-(2-{2-[(2-fluorophenyl)formamido]ethyl}-1-methyl-1H-13-benzodiazol-5-yl)-34-dimethoxybenzamide

SMILES

Cn1c(ccc(NC(c(cc2)cc(OC)c2OC)=O)c2)c2nc1CCNC(c(cccc1)c1F)=O

InChI

InChI=1S/C26H25FN4O4/c1-31-21-10-9-17(29-25(32)16-8-11-22(34-2)23(14-16)35-3)15-20(21)30-24(31)12-13-28-26(33)18-6-4-5-7-19(18)27/h4-11,14-15H,12-13H2,1-3H3,(H,28,33)(H,29,32)

InChI Key

GWNYXVNCZGNBPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.83

Polar Surface Area

74.832

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D516-0369 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D516-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0369?
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What is the minimum amount of D516-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0369
  • 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 D516-0369 available by request