D453-0570 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl thiophene-2-carboxylate

D453-0570 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl thiophene-2-carboxylate
D453-0570 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0570
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl thiophene-2-carboxylate

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

D453-0570

Molecular Formula

C12H8N4O2S (C12 H8 N4 O2 S)

Compound Name

4-(1H-1,2,3,4-tetrazol-1-yl)phenyl thiophene-2-carboxylate

IUPAC name

4-(1H-1234-tetrazol-1-yl)phenyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)Oc(cc1)ccc1-n1nnnc1

InChI

InChI=1S/C12H8N4O2S/c17-12(11-2-1-7-19-11)18-10-5-3-9(4-6-10)16-8-13-14-15-16/h1-8H

InChI Key

UBJKRQJPZMMDOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-2.67

Polar Surface Area

61.400

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D453-0570 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D453-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0570?
Check Price and Availability of D453-0570, 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 D453-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0570
  • 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 D453-0570 available by request