Y032-3712 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acetamide

Y032-3712 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acetamide
Y032-3712 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3712
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acetamide

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

Y032-3712

Molecular Formula

C20H24N6O6S (C20 H24 N6 O6 S)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)acetamide

SMILES

CN(c1c(C(N2C)=O)n(CC(Nc(cc3)ccc3S(NCC3OCCC3)(=O)=O)=O)cn1)C2=O

InChI

InChI=1S/C20H24N6O6S/c1-24-18-17(19(28)25(2)20(24)29)26(12-21-18)11-16(27)23-13-5-7-15(8-6-13)33(30,31)22-10-14-4-3-9-32-14/h5-8,12,14,22H,3-4,9-11H2,1-2H3,(H,23,27)/t14-/m1/s1

InChI Key

VOCAZDOFZOLXSF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05996869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.336

Distribution Coefficient, logD

0.335

Water Solubility, LogSw

-2.49

Polar Surface Area

116.522

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y032-3712 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 Y032-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3712?
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What is the minimum amount of Y032-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3712
  • 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 Y032-3712 available by request