P711-0164 Screening compound: N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-4-carboxamide

P711-0164 Screening compound: N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-4-carboxamide
P711-0164 Screening compound: N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P711-0164
N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-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

P711-0164

Molecular Formula

C18H23N5O4S (C18 H23 N5 O4 S)

Compound Name

N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-4-carboxamide

IUPAC name

N-[(oxolan-2-yl)methyl]-1-[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]-1H-imidazole-4-carboxamide

SMILES

O=C(c(nc1)cn1-c(cc1)ncc1S(N1CCCC1)(=O)=O)NCC1OCCC1

InChI

InChI=1S/C18H23N5O4S/c24-18(20-10-14-4-3-9-27-14)16-12-22(13-21-16)17-6-5-15(11-19-17)28(25,26)23-7-1-2-8-23/h5-6,11-14H,1-4,7-10H2,(H,20,24)/t14-/m1/s1

InChI Key

WKLHNTIAKSELAF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27613547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.024

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-2.30

Polar Surface Area

86.222

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P711-0164 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P711-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P711-0164?
Check Price and Availability of P711-0164, 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 P711-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P711-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P711-0164
  • 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 P711-0164 available by request