Y202-7636 Screening compound: N~1~-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-propoxybenzamide

Y202-7636 Screening compound: N~1~-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-propoxybenzamide
Y202-7636 Screening compound: N~1~-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-7636
N~1~-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-propoxybenzamide

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

Y202-7636

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

N~1~-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-4-propoxybenzamide

IUPAC name

N-{4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(Nc(cc1)ccc1S(Nc1ncnc(OC)c1)(=O)=O)=O

InChI

InChI=1S/C21H22N4O5S/c1-3-12-30-17-8-4-15(5-9-17)21(26)24-16-6-10-18(11-7-16)31(27,28)25-19-13-20(29-2)23-14-22-19/h4-11,13-14H,3,12H2,1-2H3,(H,24,26)(H,22,23,25)

InChI Key

XXQHSMBQFLQODW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

1.347

Water Solubility, LogSw

-3.87

Polar Surface Area

99.218

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

Y202-7636 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 Y202-7636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-7636?
Check Price and Availability of Y202-7636, 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 Y202-7636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-7636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-7636
  • 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 Y202-7636 available by request