8018-9502 Screening compound: N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1,3,4-thiadiazol-2-yl}acetamide

8018-9502 Screening compound: N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1,3,4-thiadiazol-2-yl}acetamide
8018-9502 Screening compound: N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9502
N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1,3,4-thiadiazol-2-yl}acetamide

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

8018-9502

Molecular Formula

C11H14N6O3S (C11 H14 N6 O3 S)

Compound Name

N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

N-{5-[3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl]-134-thiadiazol-2-yl}acetamide

SMILES

CC(Nc1nnc(CCCn2c([N+]([O-])=O)cnc2C)s1)=O

InChI

InChI=1S/C11H14N6O3S/c1-7-12-6-10(17(19)20)16(7)5-3-4-9-14-15-11(21-9)13-8(2)18/h6H,3-5H2,1-2H3,(H,13,15,18)

InChI Key

AXCOVQBIEIQUGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.639

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-2.13

Polar Surface Area

91.969

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

8018-9502 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9502?
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What is the minimum amount of 8018-9502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9502
  • 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 8018-9502 available by request