D297-0090 Screening compound: 1-[2,5-diethoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine

D297-0090 Screening compound: 1-[2,5-diethoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine
D297-0090 Screening compound: 1-[2,5-diethoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D297-0090
1-[2,5-diethoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine

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

D297-0090

Molecular Formula

C18H28N6O4S (C18 H28 N6 O4 S)

Compound Name

1-[2,5-diethoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine

IUPAC name

1-[25-diethoxy-4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]-4-propylpiperazine

SMILES

CCCN(CC1)CCN1S(c(cc(c(-n1nnnc1)c1)OCC)c1OCC)(=O)=O

InChI

InChI=1S/C18H28N6O4S/c1-4-7-22-8-10-23(11-9-22)29(25,26)18-13-16(27-5-2)15(12-17(18)28-6-3)24-14-19-20-21-24/h12-14H,4-11H2,1-3H3

InChI Key

CQKRALGNGCTWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-2.23

Polar Surface Area

89.625

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D297-0090 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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
  • 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 D297-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D297-0090?
Check Price and Availability of D297-0090, 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 D297-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D297-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D297-0090
  • 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 D297-0090 available by request