D283-0074 Screening compound: 2-{1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-3-yl}-2H-1,2,3-benzotriazole

D283-0074 Screening compound: 2-{1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-3-yl}-2H-1,2,3-benzotriazole
D283-0074 Screening compound: 2-{1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-3-yl}-2H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D283-0074
2-{1-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-3-yl}-2H-1,2,3-benzotriazole

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

D283-0074

Molecular Formula

C19H20N8O2S (C19 H20 N8 O2 S)

Compound Name

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

IUPAC name

2-{1-[3-methyl-4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperidin-3-yl}-2H-123-benzotriazole

SMILES

Cc(cc(cc1)S(N(CCC2)CC2n2nc(cccc3)c3n2)(=O)=O)c1-n1nnnc1

InChI

InChI=1S/C19H20N8O2S/c1-14-11-16(8-9-19(14)26-13-20-23-24-26)30(28,29)25-10-4-5-15(12-25)27-21-17-6-2-3-7-18(17)22-27/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3/t15-/m0/s1

InChI Key

AEXROJRRJXUVJV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14816710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.24

Polar Surface Area

95.022

Acid Dissociation Constant (pKa)

25.78

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

D283-0074 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D283-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D283-0074?
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What is the minimum amount of D283-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D283-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D283-0074
  • 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 D283-0074 available by request