G642-1624 Screening compound: 2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

G642-1624 Screening compound: 2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
G642-1624 Screening compound: 2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1624
2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

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

G642-1624

Molecular Formula

C24H21N5O7 (C24 H21 N5 O7)

Compound Name

2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-({4-acetyl-5-[5-(2-nitrophenyl)furan-2-yl]-45-dihydro-134-oxadiazol-2-yl}methoxy)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

CC(N1N=C(COc2nc(C)cc(COC)c2C#N)OC1c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C24H21N5O7/c1-14-10-16(12-33-3)18(11-25)23(26-14)34-13-22-27-28(15(2)30)24(36-22)21-9-8-20(35-21)17-6-4-5-7-19(17)29(31)32/h4-10,24H,12-13H2,1-3H3/t24-/m0/s1

InChI Key

KLNKQXBOXPLBLU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15025235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.71

Polar Surface Area

119.036

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G642-1624 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 G642-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1624?
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What is the minimum amount of G642-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1624
  • 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 G642-1624 available by request