8018-7999 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

8018-7999 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
8018-7999 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7999
N-(5-methyl-1,2-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

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

8018-7999

Molecular Formula

C14H10N4O5 (C14 H10 N4 O5)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

SMILES

Cc1cc(NC(C(c2c[nH]c(cc3)c2cc3[N+]([O-])=O)=O)=O)no1

InChI

InChI=1S/C14H10N4O5/c1-7-4-12(17-23-7)16-14(20)13(19)10-6-15-11-3-2-8(18(21)22)5-9(10)11/h2-6,15H,1H3,(H,16,17,20)

InChI Key

BOGAKZJYTZTHTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.26

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-3.44

Polar Surface Area

102.116

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8018-7999 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-7999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7999?
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What is the minimum amount of 8018-7999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7999
  • 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 8018-7999 available by request