5417-0902 Screening compound: 4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

5417-0902 Screening compound: 4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide
5417-0902 Screening compound: 4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5417-0902
4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

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

5417-0902

Molecular Formula

C14H18N6O2S (C14 H18 N6 O2 S)

Compound Name

4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

4-(5-{[(tert-butylcarbamoyl)methyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzamide

SMILES

CC(C)(C)NC(CSc1nnnn1-c(cc1)ccc1C(N)=O)=O

InChI

InChI=1S/C14H18N6O2S/c1-14(2,3)16-11(21)8-23-13-17-18-19-20(13)10-6-4-9(5-7-10)12(15)22/h4-7H,8H2,1-3H3,(H2,15,22)(H,16,21)

InChI Key

JZADRCKSZIPRJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.951

Distribution Coefficient, logD

0.951

Water Solubility, LogSw

-2.20

Polar Surface Area

97.515

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5417-0902 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5417-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5417-0902?
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What is the minimum amount of 5417-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5417-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5417-0902
  • 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 5417-0902 available by request