2513-1083 Screening compound: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

2513-1083 Screening compound: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
2513-1083 Screening compound: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-1083
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

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

2513-1083

Molecular Formula

C18H16ClN3O4S (C18 H16 ClN3 O4 S)

Compound Name

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[5-(2-chlorophenyl)-134-thiadiazol-2-yl]-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc2nnc(-c(cccc3)c3Cl)s2)=O)cc(OC)c1OC

InChI

InChI=1S/C18H16ClN3O4S/c1-24-13-8-10(9-14(25-2)15(13)26-3)16(23)20-18-22-21-17(27-18)11-6-4-5-7-12(11)19/h4-9H,1-3H3,(H,20,22,23)

InChI Key

NGBRGXUPAKOKGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-4.41

Polar Surface Area

69.581

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2513-1083 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2513-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-1083?
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What is the minimum amount of 2513-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-1083
  • 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 2513-1083 available by request