C099-0748 Screening compound: 4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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

C099-0748 Screening compound: 4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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
C099-0748 Screening compound: 4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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 C099-0748
4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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

C099-0748

Molecular Formula

C29H24BrN7O4S2 (C29 H24 BrN7 O4 S2)

Compound Name

4-[6-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-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-[3-(4-bromophenyl)-5-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-1H4H5H-pyrazolo[34-d]pyrimidin-1-yl]benzene-1-sulfonamide

SMILES

Cc1ccc(C(C2)N(C(CSC(N3)=Nc(n(-c(cc4)ccc4S(N)(=O)=O)nc4)c4C3=O)=O)N=C2c(cc2)ccc2Br)cc1

InChI

InChI=1S/C29H24BrN7O4S2/c1-17-2-4-19(5-3-17)25-14-24(18-6-8-20(30)9-7-18)35-37(25)26(38)16-42-29-33-27-23(28(39)34-29)15-32-36(27)21-10-12-22(13-11-21)43(31,40)41/h2-13,15,25H,14,16H2,1H3,(H2,31,40,41)(H,33,34,39)/t25-/m1/s1

InChI Key

IRZMVAUGIIHVFJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD04456659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

678.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.55

Polar Surface Area

125.675

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

C099-0748 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C099-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C099-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C099-0748
  • 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 C099-0748 available by request