D516-0344 Screening compound: 3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-4-methylbenzamide

D516-0344 Screening compound: 3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-4-methylbenzamide
D516-0344 Screening compound: 3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D516-0344
3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-4-methylbenzamide

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

D516-0344

Molecular Formula

C25H22F2N4O2 (C25 H22 F2 N4 O2)

Compound Name

3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-1,3-benzodiazol-2-yl]ethyl}-4-methylbenzamide

IUPAC name

3-fluoro-N-{2-[5-(4-fluorobenzamido)-1-methyl-1H-13-benzodiazol-2-yl]ethyl}-4-methylbenzamide

SMILES

Cc(ccc(C(NCCc1nc(cc(cc2)NC(c(cc3)ccc3F)=O)c2n1C)=O)c1)c1F

InChI

InChI=1S/C25H22F2N4O2/c1-15-3-4-17(13-20(15)27)24(32)28-12-11-23-30-21-14-19(9-10-22(21)31(23)2)29-25(33)16-5-7-18(26)8-6-16/h3-10,13-14H,11-12H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

BYOFTVQGISDWDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.21

Polar Surface Area

59.571

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D516-0344 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 D516-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D516-0344?
Check Price and Availability of D516-0344, 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 D516-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D516-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D516-0344
  • 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 D516-0344 available by request