8003-4521 Screening compound: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

8003-4521 Screening compound: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
8003-4521 Screening compound: 2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4521
2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

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

8003-4521

Molecular Formula

C19H12N6O3S2 (C19 H12 N6 O3 S2)

Compound Name

2-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

IUPAC name

2-{[6-amino-35-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide

SMILES

Nc(nc(c(C#N)c1-c2cccs2)SCC(Nc2cc([N+]([O-])=O)ccc2)=O)c1C#N

InChI

InChI=1S/C19H12N6O3S2/c20-8-13-17(15-5-2-6-29-15)14(9-21)19(24-18(13)22)30-10-16(26)23-11-3-1-4-12(7-11)25(27)28/h1-7H,10H2,(H2,22,24)(H,23,26)

InChI Key

QPJIGGSFSSAZEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-4.06

Polar Surface Area

120.801

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 8003-4521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4521?
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What is the minimum amount of 8003-4521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4521
  • 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 8003-4521 available by request