8012-8675 Screening compound: 2-(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetraazol-1-yl)acetic acid

8012-8675 Screening compound: 2-(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetraazol-1-yl)acetic acid
8012-8675 Screening compound: 2-(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetraazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8675
2-(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetraazol-1-yl)acetic 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

8012-8675

Molecular Formula

C11H10N6O5S (C11 H10 N6 O5 S)

Compound Name

2-(5-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-1H-1,2,3,4-tetraazol-1-yl)acetic acid

IUPAC name

2-[5-({[(3-nitrophenyl)carbamoyl]methyl}sulfanyl)-1H-1234-tetrazol-1-yl]acetic acid

SMILES

[O-][N+](c1cccc(NC(CSc2nnnn2CC(O)=O)=O)c1)=O

InChI

InChI=1S/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)

InChI Key

MSAOEBBRWVUSTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.460

Distribution Coefficient, logD

-3.841

Water Solubility, LogSw

-2.32

Polar Surface Area

124.939

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 8012-8675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8675?
Check Price and Availability of 8012-8675, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-8675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8675
  • 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 8012-8675 available by request