8020-1470 Screening compound: 4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzene-1-sulfonamide

8020-1470 Screening compound: 4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzene-1-sulfonamide
8020-1470 Screening compound: 4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1470
4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzene-1-sulfonamide

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

8020-1470

Molecular Formula

C19H17ClN4O4S (C19 H17 ClN4 O4 S)

Compound Name

4-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzene-1-sulfonamide

IUPAC name

4-[4-(4-chlorophenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]benzene-1-sulfonamide

SMILES

CN(C(CN1c(cc2)ccc2S(N)(=O)=O)=C(C(c(cc2)ccc2Cl)N2)C1=O)C2=O

InChI

InChI=1S/C19H17ClN4O4S/c1-23-15-10-24(13-6-8-14(9-7-13)29(21,27)28)18(25)16(15)17(22-19(23)26)11-2-4-12(20)5-3-11/h2-9,17H,10H2,1H3,(H,22,26)(H2,21,27,28)/t17-/m1/s1

InChI Key

LCQFTVGMUDBDJQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD12035258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.350

Distribution Coefficient, logD

0.864

Water Solubility, LogSw

-2.94

Polar Surface Area

94.660

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

8020-1470 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-1470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1470?
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What is the minimum amount of 8020-1470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1470
  • 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 8020-1470 available by request