8007-4301 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

8007-4301 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-4-(nitroamino)-, inner salt
8007-4301 Screening compound: 1{H}-1,2,4-triazolium, 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-4-(nitroamino)-, inner salt alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4301
1{H}-1,2,4-triazolium, 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

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

8007-4301

Molecular Formula

C10H14N8O3S2 (C10 H14 N8 O3 S2)

Compound Name

1{H}-1,2,4-triazolium, 1-[2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-4-(nitroamino)-, inner salt

IUPAC name

1-({[5-(butylsulfanyl)-134-thiadiazol-2-yl]carbamoyl}methyl)-4-(nitroazanidyl)-1H-124-triazol-4-ium

SMILES

CCCCSc1nnc(NC(Cn2nc[n+]([N-][N+]([O-])=O)c2)=O)s1

InChI

InChI=1S/C10H14N8O3S2/c1-2-3-4-22-10-14-13-9(23-10)12-8(19)5-16-7-17(6-11-16)15-18(20)21/h6-7H,2-5H2,1H3,(H,12,13,19)

InChI Key

NZZUGOPIOGUNSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.559

Water Solubility, LogSw

-2.20

Polar Surface Area

112.611

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8007-4301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4301?
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What is the minimum amount of 8007-4301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4301
  • 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 8007-4301 available by request