K410-0512 Screening compound: 2,3-dimethoxy-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

K410-0512 Screening compound: 2,3-dimethoxy-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
K410-0512 Screening compound: 2,3-dimethoxy-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K410-0512
2,3-dimethoxy-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

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

K410-0512

Molecular Formula

C20H18N4O7S (C20 H18 N4 O7 S)

Compound Name

2,3-dimethoxy-N~1~-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide

IUPAC name

23-dimethoxy-N-[2-(4-nitrophenyl)-55-dioxo-2H4H6H-5lambda6-thieno[34-c]pyrazol-3-yl]benzamide

SMILES

COc1cccc(C(Nc2c(CS(C3)(=O)=O)c3nn2-c(cc2)ccc2[N+]([O-])=O)=O)c1OC

InChI

InChI=1S/C20H18N4O7S/c1-30-17-5-3-4-14(18(17)31-2)20(25)21-19-15-10-32(28,29)11-16(15)22-23(19)12-6-8-13(9-7-12)24(26)27/h3-9H,10-11H2,1-2H3,(H,21,25)

InChI Key

GUTBRUVVSYICPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05013107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.732

Distribution Coefficient, logD

1.720

Water Solubility, LogSw

-2.60

Polar Surface Area

115.430

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K410-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K410-0512?
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What is the minimum amount of K410-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K410-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K410-0512
  • 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 K410-0512 available by request