C776-0138 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide

C776-0138 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide
C776-0138 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0138
1-(1H-1,3-benzodiazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide

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

C776-0138

Molecular Formula

C19H17BrF2N4O (C19 H17 BrF2 N4 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide

IUPAC name

1-(1H-13-benzodiazol-2-yl)-N-(2-bromo-46-difluorophenyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2[nH]1)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C19H17BrF2N4O/c20-13-9-12(21)10-14(22)17(13)25-18(27)11-5-7-26(8-6-11)19-23-15-3-1-2-4-16(15)24-19/h1-4,9-11H,5-8H2,(H,23,24)(H,25,27)

InChI Key

KDIBLOZBJVDAFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.71

Polar Surface Area

43.604

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C776-0138 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C776-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0138?
Check Price and Availability of C776-0138, 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 C776-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0138
  • 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 C776-0138 available by request