8016-8743 Screening compound: 5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-1,2,3,4-tetraazol-1-yl]-2-chlorobenzoic acid

8016-8743 Screening compound: 5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-1,2,3,4-tetraazol-1-yl]-2-chlorobenzoic acid
8016-8743 Screening compound: 5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-1,2,3,4-tetraazol-1-yl]-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8743
5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-1,2,3,4-tetraazol-1-yl]-2-chlorobenzoic acid

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

8016-8743

Molecular Formula

C14H14ClN9O2S (C14 H14 ClN9 O2 S)

Compound Name

5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-1,2,3,4-tetraazol-1-yl]-2-chlorobenzoic acid

IUPAC name

n/a

SMILES

CN(C)c1nc(N)nc(CSc2nnnn2-c(cc2)cc(C(O)=O)c2Cl)n1

InChI

InChI=1S/C14H14ClN9O2S/c1-23(2)13-18-10(17-12(16)19-13)6-27-14-20-21-22-24(14)7-3-4-9(15)8(5-7)11(25)26/h3-5H,6H2,1-2H3,(H,25,26)(H2,16,17,18,19)

InChI Key

ITKVDWOFAIQSNK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.84

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

-2.879

Water Solubility, LogSw

-2.93

Polar Surface Area

121.352

Acid Dissociation Constant (pKa)

2.36

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 8016-8743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8743?
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What is the minimum amount of 8016-8743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8743
  • 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 8016-8743 available by request