6995-0163 Screening compound: 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

6995-0163 Screening compound: 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one
6995-0163 Screening compound: 1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6995-0163
1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

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

6995-0163

Molecular Formula

C20H19N5O4S (C20 H19 N5 O4 S)

Compound Name

1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-[3-(4-methylbenzoyl)imidazolidin-1-yl]-2-[(5-nitro-1H-13-benzodiazol-2-yl)sulfanyl]ethan-1-one

SMILES

Cc(cc1)ccc1C(N(CC1)CN1C(CSc1nc(cc(cc2)[N+]([O-])=O)c2[nH]1)=O)=O

InChI

InChI=1S/C20H19N5O4S/c1-13-2-4-14(5-3-13)19(27)24-9-8-23(12-24)18(26)11-30-20-21-16-7-6-15(25(28)29)10-17(16)22-20/h2-7,10H,8-9,11-12H2,1H3,(H,21,22)

InChI Key

YSHVTZMRCAQIDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06067739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.615

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.96

Polar Surface Area

85.316

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 6995-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6995-0163?
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What is the minimum amount of 6995-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6995-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6995-0163
  • 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 6995-0163 available by request