D283-0083 Screening compound: 3-({1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-2,3-dihydro-1,3-benzoxazol-2-one

D283-0083 Screening compound: 3-({1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-2,3-dihydro-1,3-benzoxazol-2-one
D283-0083 Screening compound: 3-({1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D283-0083
3-({1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-2,3-dihydro-1,3-benzoxazol-2-one

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

D283-0083

Molecular Formula

C19H18N6O4S (C19 H18 N6 O4 S)

Compound Name

3-({1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-({1-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]pyrrolidin-2-yl}methyl)-23-dihydro-13-benzoxazol-2-one

SMILES

O=C1Oc(cccc2)c2N1CC(CCC1)N1S(c(cc1)ccc1-n1nnnc1)(=O)=O

InChI

InChI=1S/C19H18N6O4S/c26-19-23(17-5-1-2-6-18(17)29-19)12-15-4-3-11-25(15)30(27,28)16-9-7-14(8-10-16)24-13-20-21-22-24/h1-2,5-10,13,15H,3-4,11-12H2/t15-/m1/s1

InChI Key

LLBGXWOZKXDKEW-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14816718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.75

Polar Surface Area

95.332

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D283-0083 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 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 D283-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D283-0083?
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What is the minimum amount of D283-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D283-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D283-0083
  • 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 D283-0083 available by request