Y501-7200 Screening compound: 5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide

Y501-7200 Screening compound: 5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide
Y501-7200 Screening compound: 5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-7200
5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide

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

Y501-7200

Molecular Formula

C18H17ClN6O6S (C18 H17 ClN6 O6 S)

Compound Name

5-chloro-N-{3-[(2,3-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)benzamide

IUPAC name

5-chloro-N-{3-[(23-dihydroxypropyl)sulfanyl]-5-nitrophenyl}-2-methoxy-4-(1H-1234-tetrazol-1-yl)benzamide

SMILES

COc(c(C(Nc1cc(SCC(CO)O)cc([N+]([O-])=O)c1)=O)c1)cc(-n2nnnc2)c1Cl

InChI

InChI=1S/C18H17ClN6O6S/c1-31-17-6-16(24-9-20-22-23-24)15(19)5-14(17)18(28)21-10-2-11(25(29)30)4-13(3-10)32-8-12(27)7-26/h2-6,9,12,26-27H,7-8H2,1H3,(H,21,28)/t12-/m0/s1

InChI Key

VMPNDVGYWHOYIG-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.89

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

1.394

Water Solubility, LogSw

-3.36

Polar Surface Area

137.541

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

Y501-7200 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 Y501-7200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-7200?
Check Price and Availability of Y501-7200, 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 Y501-7200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-7200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-7200
  • 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 Y501-7200 available by request