C099-0754 Screening compound: 4-[6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide

C099-0754 Screening compound: 4-[6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide
C099-0754 Screening compound: 4-[6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C099-0754
4-[6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-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

C099-0754

Molecular Formula

C30H27N7O6S2 (C30 H27 N7 O6 S2)

Compound Name

4-[6-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide

IUPAC name

4-[6-({2-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-1-yl]benzene-1-sulfonamide

SMILES

COc1ccc(C(C2)N(C(CSC(N3)=Nc(n(-c(cc4)ccc4S(N)(=O)=O)nc4)c4C3=O)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C30H27N7O6S2/c1-42-21-9-3-18(4-10-21)25-15-26(19-5-11-22(43-2)12-6-19)37(35-25)27(38)17-44-30-33-28-24(29(39)34-30)16-32-36(28)20-7-13-23(14-8-20)45(31,40)41/h3-14,16,26H,15,17H2,1-2H3,(H2,31,40,41)(H,33,34,39)/t26-/m0/s1

InChI Key

HPWZZAFUKOJQNC-SANMLTNESA-N

MDL Number (MFCD)

MFCD04456665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

645.72

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.90

Polar Surface Area

140.763

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C099-0754 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C099-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C099-0754?
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What is the minimum amount of C099-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0754
  • 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 C099-0754 available by request