C776-1407 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

C776-1407 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
C776-1407 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-1407
2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-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

C776-1407

Molecular Formula

C30H38FN5O (C30 H38 FN5 O)

Compound Name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]-1-[(4-fluorophenyl)methyl]-1H-13-benzodiazole

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1Cc(cc1)ccc1F)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C30H38FN5O/c31-25-12-10-23(11-13-25)22-36-28-9-5-4-8-27(28)32-30(36)35-16-14-24(15-17-35)29(37)34-20-18-33(19-21-34)26-6-2-1-3-7-26/h4-5,8-13,24,26H,1-3,6-7,14-22H2

InChI Key

WYPQJTGHCRVKBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-5.53

Polar Surface Area

32.902

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

C776-1407 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C776-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-1407?
Check Price and Availability of C776-1407, 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 C776-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-1407
  • 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 C776-1407 available by request