8018-3653 Screening compound: 1-phenyl-5-({6-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1,2,3,4-tetrazole

8018-3653 Screening compound: 1-phenyl-5-({6-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1,2,3,4-tetrazole
8018-3653 Screening compound: 1-phenyl-5-({6-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3653
1-phenyl-5-({6-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1,2,3,4-tetrazole

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

8018-3653

Molecular Formula

C22H22N8S3 (C22 H22 N8 S3)

Compound Name

1-phenyl-5-({6-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-phenyl-5-({6-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-9-thiabicyclo[3.3.1]nonan-2-yl}sulfanyl)-1H-1234-tetrazole

SMILES

C(CC1SC2CCC1Sc1nnnn1-c1ccccc1)C2Sc1nnnn1-c1ccccc1

InChI

InChI=1S/C22H22N8S3/c1-3-7-15(8-4-1)29-21(23-25-27-29)32-19-13-11-18-20(14-12-17(19)31-18)33-22-24-26-28-30(22)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2

InChI Key

VMRLHDCNFOYACF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06668185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.53

Polar Surface Area

79.652

Acid Dissociation Constant (pKa)

24.01

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

36.40

8018-3653 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8018-3653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3653?
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What is the minimum amount of 8018-3653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3653
  • 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 8018-3653 available by request