G642-6413 Screening compound: 4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,6-dibromophenyl acetate

G642-6413 Screening compound: 4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,6-dibromophenyl acetate
G642-6413 Screening compound: 4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,6-dibromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6413
4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,6-dibromophenyl 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

G642-6413

Molecular Formula

C18H13Br2N3O6 (C18 H13 Br2 N3 O6)

Compound Name

4-[4-acetyl-5-(2-nitrophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-2,6-dibromophenyl acetate

IUPAC name

4-[4-acetyl-5-(2-nitrophenyl)-45-dihydro-134-oxadiazol-2-yl]-26-dibromophenyl acetate

SMILES

CC(N1N=C(c(cc2Br)cc(Br)c2OC(C)=O)OC1c(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H13Br2N3O6/c1-9(24)22-18(12-5-3-4-6-15(12)23(26)27)29-17(21-22)11-7-13(19)16(14(20)8-11)28-10(2)25/h3-8,18H,1-2H3/t18-/m1/s1

InChI Key

CVTBYZXJLOEQFJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15025548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.13

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.51

Polar Surface Area

89.256

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G642-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6413?
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What is the minimum amount of G642-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6413
  • 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 G642-6413 available by request