Y070-0912 Screening compound: methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-1,3-thiazol-2-yl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl)carbamate

Y070-0912 Screening compound: methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-1,3-thiazol-2-yl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl)carbamate
Y070-0912 Screening compound: methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-1,3-thiazol-2-yl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0912
methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-1,3-thiazol-2-yl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl)carbamate

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

Y070-0912

Molecular Formula

C18H14N4O4S4 (C18 H14 N4 O4 S4)

Compound Name

methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-1,3-thiazol-2-yl}-4-(thiophen-2-yl)-1,3-thiazol-5-yl)carbamate

IUPAC name

methyl N-(2-{5-[(methoxycarbonyl)amino]-4-(thiophen-2-yl)-13-thiazol-2-yl}-4-(thiophen-2-yl)-13-thiazol-5-yl)carbamate

SMILES

COC(Nc1c(-c2cccs2)nc(-c2nc(-c3cccs3)c(NC(OC)=O)s2)s1)=O

InChI

InChI=1S/C18H14N4O4S4/c1-25-17(23)21-13-11(9-5-3-7-27-9)19-15(29-13)16-20-12(10-6-4-8-28-10)14(30-16)22-18(24)26-2/h3-8H,1-2H3,(H,21,23)(H,22,24)

InChI Key

UMIZCBLNBNKYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03212387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.62

Polar Surface Area

84.292

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y070-0912 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y070-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0912?
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What is the minimum amount of Y070-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0912
  • 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 Y070-0912 available by request