S830-2551 Screening compound: 5-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

S830-2551 Screening compound: 5-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-1,3-benzodiazole
S830-2551 Screening compound: 5-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S830-2551
5-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

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

S830-2551

Molecular Formula

C15H17F2N3O2 (C15 H17 F2 N3 O2)

Compound Name

5-[4,4-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

IUPAC name

5-[44-difluoro-3-(methoxymethyl)piperidine-1-carbonyl]-1H-13-benzodiazole

SMILES

COCC(CN(CC1)C(c(cc2)cc3c2[nH]cn3)=O)C1(F)F

InChI

InChI=1S/C15H17F2N3O2/c1-22-8-11-7-20(5-4-15(11,16)17)14(21)10-2-3-12-13(6-10)19-9-18-12/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,18,19)/t11-/m1/s1

InChI Key

DULIPMSYNOLJBG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD30468307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.381

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.00

Polar Surface Area

45.774

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S830-2551 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S830-2551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S830-2551?
Check Price and Availability of S830-2551, 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 S830-2551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S830-2551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S830-2551
  • 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 S830-2551 available by request