D157-0169 Screening compound: 2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1,2,3,4-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

D157-0169 Screening compound: 2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1,2,3,4-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
D157-0169 Screening compound: 2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1,2,3,4-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D157-0169
2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1,2,3,4-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

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

D157-0169

Molecular Formula

C25H25ClN6O3S (C25 H25 ClN6 O3 S)

Compound Name

2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1,2,3,4-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

IUPAC name

2-[N-(4-chlorophenyl)-2-[5-(thiophen-2-yl)-1H-1234-tetrazol-1-yl]acetamido]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide

SMILES

Cc1ccc(C(C(NC2CCCC2)=O)N(C(Cn2nnnc2-c2cccs2)=O)c(cc2)ccc2Cl)o1

InChI

InChI=1S/C25H25ClN6O3S/c1-16-8-13-20(35-16)23(25(34)27-18-5-2-3-6-18)32(19-11-9-17(26)10-12-19)22(33)15-31-24(28-29-30-31)21-7-4-14-36-21/h4,7-14,18,23H,2-3,5-6,15H2,1H3,(H,27,34)/t23-/m1/s1

InChI Key

BOQLWQSIJAVQMZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14813086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.03

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.63

Polar Surface Area

86.974

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

D157-0169 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D157-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D157-0169?
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What is the minimum amount of D157-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D157-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D157-0169
  • 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 D157-0169 available by request