Y510-4412 Screening compound: 4,5-dimethoxy-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid

Y510-4412 Screening compound: 4,5-dimethoxy-2-({2-[(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoic acid
Y510-4412 Screening compound: 4,5-dimethoxy-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 Y510-4412
4,5-dimethoxy-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

Y510-4412

Molecular Formula

C18H17N5O5S (C18 H17 N5 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

COc(c(OC)c1)cc(C(O)=O)c1NC(CSc1nnnn1-c1ccccc1)=O

InChI

InChI=1S/C18H17N5O5S/c1-27-14-8-12(17(25)26)13(9-15(14)28-2)19-16(24)10-29-18-20-21-22-23(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,24)(H,25,26)

InChI Key

NZIQXTWFSMYAEZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

-1.150

Water Solubility, LogSw

-2.87

Polar Surface Area

106.009

Acid Dissociation Constant (pKa)

4.33

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y510-4412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y510-4412?
Check Price and Availability of Y510-4412, 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 Y510-4412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y510-4412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y510-4412
  • 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 Y510-4412 available by request