G642-6802 Screening compound: 2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate

G642-6802 Screening compound: 2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate
G642-6802 Screening compound: 2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6802
2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-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

G642-6802

Molecular Formula

C25H19BrN4O7 (C25 H19 BrN4 O7)

Compound Name

2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-bromophenyl acetate

IUPAC name

2-{4-acetyl-5-[4-(3-nitrobenzamido)phenyl]-45-dihydro-134-oxadiazol-2-yl}-4-bromophenyl acetate

SMILES

CC(N1N=C(c(cc(cc2)Br)c2OC(C)=O)OC1c(cc1)ccc1NC(c1cc([N+]([O-])=O)ccc1)=O)=O

InChI

InChI=1S/C25H19BrN4O7/c1-14(31)29-25(37-24(28-29)21-13-18(26)8-11-22(21)36-15(2)32)16-6-9-19(10-7-16)27-23(33)17-4-3-5-20(12-17)30(34)35/h3-13,25H,1-2H3,(H,27,33)/t25-/m1/s1

InChI Key

RODWSPAARDRTJZ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD15025641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.54

Polar Surface Area

112.562

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with G642-6802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6802?
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What is the minimum amount of G642-6802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6802
  • 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 G642-6802 available by request