D631-0355 Screening compound: 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

D631-0355 Screening compound: 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole
D631-0355 Screening compound: 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D631-0355
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-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

D631-0355

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1H-1,3-benzodiazole

IUPAC name

2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-1H-13-benzodiazole

SMILES

O=C(c(cc1)cnc1Cl)N(CC1)CCC1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H17ClN4O/c19-16-6-5-13(11-20-16)18(24)23-9-7-12(8-10-23)17-21-14-3-1-2-4-15(14)22-17/h1-6,11-12H,7-10H2,(H,21,22)

InChI Key

ZPPHYRKGWFVQTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-3.19

Polar Surface Area

44.911

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D631-0355 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D631-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D631-0355?
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What is the minimum amount of D631-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D631-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D631-0355
  • 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 D631-0355 available by request