2900-0300 Screening compound: 4-tert-butyl-N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

2900-0300 Screening compound: 4-tert-butyl-N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
2900-0300 Screening compound: 4-tert-butyl-N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2900-0300
4-tert-butyl-N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-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

2900-0300

Molecular Formula

C23H27N3O3S2 (C23 H27 N3 O3 S2)

Compound Name

4-tert-butyl-N-{5-[2-(3,4-dimethylbenzenesulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-tert-butyl-N-{5-[2-(34-dimethylbenzenesulfonyl)ethyl]-134-thiadiazol-2-yl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nnc(CCS(c2cc(C)c(C)cc2)(=O)=O)s1)=O

InChI

InChI=1S/C23H27N3O3S2/c1-15-6-11-19(14-16(15)2)31(28,29)13-12-20-25-26-22(30-20)24-21(27)17-7-9-18(10-8-17)23(3,4)5/h6-11,14H,12-13H2,1-5H3,(H,24,26,27)

InChI Key

XQNCEZIFZPVPNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-5.41

Polar Surface Area

76.135

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with 2900-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2900-0300?
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What is the minimum amount of 2900-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2900-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2900-0300
  • 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 2900-0300 available by request