G642-5837 Screening compound: N-(4-{4-[3-acetyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-yl)acetamide

G642-5837 Screening compound: N-(4-{4-[3-acetyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-yl)acetamide
G642-5837 Screening compound: N-(4-{4-[3-acetyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5837
N-(4-{4-[3-acetyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-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

G642-5837

Molecular Formula

C23H19N9O6 (C23 H19 N9 O6)

Compound Name

N-(4-{4-[3-acetyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-1,2,3-triazol-1-yl}-1,2,5-oxadiazol-3-yl)acetamide

IUPAC name

N-(4-{4-[3-acetyl-5-(4-methylphenyl)-23-dihydro-134-oxadiazol-2-yl]-5-(4-nitrophenyl)-1H-123-triazol-1-yl}-125-oxadiazol-3-yl)acetamide

SMILES

CC(Nc1nonc1-n1nnc(C2OC(c3ccc(C)cc3)=NN2C(C)=O)c1-c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H19N9O6/c1-12-4-6-16(7-5-12)22-26-30(14(3)34)23(37-22)18-19(15-8-10-17(11-9-15)32(35)36)31(29-25-18)21-20(24-13(2)33)27-38-28-21/h4-11,23H,1-3H3,(H,24,27,33)/t23-/m0/s1

InChI Key

UJLSFHGGUUZMKC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15025484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.46

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.63

Polar Surface Area

153.686

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with G642-5837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5837?
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What is the minimum amount of G642-5837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5837
  • 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 G642-5837 available by request