Y510-4406 Screening compound: 4-chloro-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid

Y510-4406 Screening compound: 4-chloro-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid
Y510-4406 Screening compound: 4-chloro-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y510-4406
4-chloro-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic 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

Y510-4406

Molecular Formula

C16H12ClN5O3S (C16 H12 ClN5 O3 S)

Compound Name

4-chloro-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid

IUPAC name

n/a

SMILES

OC(c(ccc(Cl)c1)c1NC(CSc1nnnn1-c1ccccc1)=O)=O

InChI

InChI=1S/C16H12ClN5O3S/c17-10-6-7-12(15(24)25)13(8-10)18-14(23)9-26-16-19-20-21-22(16)11-4-2-1-3-5-11/h1-8H,9H2,(H,18,23)(H,24,25)

InChI Key

BAQPJVVGISXFEK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.82

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

-1.017

Water Solubility, LogSw

-3.70

Polar Surface Area

90.749

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with Y510-4406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y510-4406?
Check Price and Availability of Y510-4406, 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 Y510-4406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y510-4406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y510-4406
  • 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 Y510-4406 available by request