C202-2738 Screening compound: 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C202-2738 Screening compound: 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C202-2738 Screening compound: 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2738
9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C202-2738

Molecular Formula

C26H27N5O5S (C26 H27 N5 O5 S)

Compound Name

9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

9-(34-dimethoxyphenyl)-66-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

CC(C)(C1)CC(Nc2nc(SCc(cc3)ccc3[N+]([O-])=O)nn2C2c(cc3)cc(OC)c3OC)=C2C1=O

InChI

InChI=1S/C26H27N5O5S/c1-26(2)12-18-22(19(32)13-26)23(16-7-10-20(35-3)21(11-16)36-4)30-24(27-18)28-25(29-30)37-14-15-5-8-17(9-6-15)31(33)34/h5-11,23H,12-14H2,1-4H3,(H,27,28,29)/t23-/m0/s1

InChI Key

YSNWMXFCXPCILO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14731223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.54

Polar Surface Area

97.709

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

C202-2738 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-2738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2738?
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What is the minimum amount of C202-2738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2738
  • 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 C202-2738 available by request