G642-2116 Screening compound: 2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate

G642-2116 Screening compound: 2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate
G642-2116 Screening compound: 2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2116
2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate

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

G642-2116

Molecular Formula

C24H21Br2N5O7 (C24 H21 Br2 N5 O7)

Compound Name

2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate

IUPAC name

2-(4-acetyl-5-{3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-45-dihydro-134-oxadiazol-2-yl)-4-bromophenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)Br)c2OC(C)=O)OC1c(cc1)cc(Cn(c(C)c2Br)nc2[N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C24H21Br2N5O7/c1-12-21(26)22(31(34)35)27-29(12)11-16-9-15(5-7-19(16)36-4)24-30(13(2)32)28-23(38-24)18-10-17(25)6-8-20(18)37-14(3)33/h5-10,24H,11H2,1-4H3/t24-/m1/s1

InChI Key

DBNKTJXPNPZQNJ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15025379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

651.27

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.57

Polar Surface Area

110.739

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G642-2116 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 G642-2116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2116?
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What is the minimum amount of G642-2116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2116
  • 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 G642-2116 available by request