C776-0270 Screening compound: ethyl 1-[1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

C776-0270 Screening compound: ethyl 1-[1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate
C776-0270 Screening compound: ethyl 1-[1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C776-0270
ethyl 1-[1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

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

C776-0270

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

ethyl 1-[1-(1H-1,3-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[1-(1H-13-benzodiazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(C(CC1)CCN1c1nc(cccc2)c2[nH]1)=O)=O

InChI

InChI=1S/C21H28N4O3/c1-2-28-20(27)16-6-5-11-25(14-16)19(26)15-9-12-24(13-10-15)21-22-17-7-3-4-8-18(17)23-21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

MQBUBHNZARKPGB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14792982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-2.56

Polar Surface Area

59.244

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C776-0270 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C776-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C776-0270?
Check Price and Availability of C776-0270, 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 C776-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C776-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C776-0270
  • 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 C776-0270 available by request