Y070-3006 Screening compound: N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}thiophene-2-carboxamide

Y070-3006 Screening compound: N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}thiophene-2-carboxamide
Y070-3006 Screening compound: N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3006
N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}thiophene-2-carboxamide

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

Y070-3006

Molecular Formula

C21H12N4O3S3 (C21 H12 N4 O3 S3)

Compound Name

N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-1,3-thiazol-5-yl}thiophene-2-carboxamide

IUPAC name

N-{2-[(1E)-1-cyano-2-(3-nitrophenyl)eth-1-en-1-yl]-4-(thiophen-2-yl)-13-thiazol-5-yl}thiophene-2-carboxamide

SMILES

N#C/C(/c1nc(-c2cccs2)c(NC(c2cccs2)=O)s1)=C\c1cc([N+]([O-])=O)ccc1

InChI

InChI=1S/C21H12N4O3S3/c22-12-14(10-13-4-1-5-15(11-13)25(27)28)20-23-18(16-6-2-8-29-16)21(31-20)24-19(26)17-7-3-9-30-17/h1-11H,(H,24,26)

InChI Key

FUJNALKGHHBWJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03530509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.579

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.85

Polar Surface Area

84.813

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y070-3006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3006?
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What is the minimum amount of Y070-3006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3006
  • 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 Y070-3006 available by request