D283-0091 Screening compound: 2-({1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine

D283-0091 Screening compound: 2-({1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine
D283-0091 Screening compound: 2-({1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D283-0091
2-({1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine

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

D283-0091

Molecular Formula

C17H19N7O2S2 (C17 H19 N7 O2 S2)

Compound Name

2-({1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine

IUPAC name

2-({1-[3-methyl-4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}sulfanyl)pyrimidine

SMILES

Cc(cc(cc1)S(N(CC2)CCC2Sc2ncccn2)(=O)=O)c1-n1nnnc1

InChI

InChI=1S/C17H19N7O2S2/c1-13-11-15(3-4-16(13)24-12-20-21-22-24)28(25,26)23-9-5-14(6-10-23)27-17-18-7-2-8-19-17/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3

InChI Key

PAMYLYVWVLXEFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.454

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.68

Polar Surface Area

89.300

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D283-0091 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D283-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D283-0091?
Check Price and Availability of D283-0091, 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 D283-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D283-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D283-0091
  • 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 D283-0091 available by request