Y030-8823 Screening compound: 2,6-dichloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

Y030-8823 Screening compound: 2,6-dichloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Y030-8823 Screening compound: 2,6-dichloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8823
2,6-dichloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-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

Y030-8823

Molecular Formula

C18H15Cl2N3O3S (C18 H15 Cl2 N3 O3 S)

Compound Name

2,6-dichloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

26-dichloro-N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(ccc(Cc1nnc(NC(c(c(Cl)ccc2)c2Cl)=O)s1)c1)c1OC

InChI

InChI=1S/C18H15Cl2N3O3S/c1-25-13-7-6-10(8-14(13)26-2)9-15-22-23-18(27-15)21-17(24)16-11(19)4-3-5-12(16)20/h3-8H,9H2,1-2H3,(H,21,23,24)

InChI Key

RENDFPNXQPMVKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-4.76

Polar Surface Area

62.359

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y030-8823 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y030-8823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8823?
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What is the minimum amount of Y030-8823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8823
  • 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 Y030-8823 available by request