G642-6492 Screening compound: 4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-3-(acetyloxy)-2,6-dibromophenyl acetate

G642-6492 Screening compound: 4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-3-(acetyloxy)-2,6-dibromophenyl acetate
G642-6492 Screening compound: 4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-3-(acetyloxy)-2,6-dibromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6492
4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-3-(acetyloxy)-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

G642-6492

Molecular Formula

C31H28Br2N4O7 (C31 H28 Br2 N4 O7)

Compound Name

4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-3-(acetyloxy)-2,6-dibromophenyl acetate

IUPAC name

4-{4-acetyl-5-[(1Z)-2-[4-(dimethylamino)phenyl]-1-(phenylformamido)ethenyl]-45-dihydro-134-oxadiazol-2-yl}-3-(acetyloxy)-26-dibromophenyl acetate

SMILES

CC(N1N=C(c(cc(c(OC(C)=O)c2Br)Br)c2OC(C)=O)OC1/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C31H28Br2N4O7/c1-17(38)37-31(44-30(35-37)23-16-24(32)28(43-19(3)40)26(33)27(23)42-18(2)39)25(34-29(41)21-9-7-6-8-10-21)15-20-11-13-22(14-12-20)36(4)5/h6-16,31H,1-5H3,(H,34,41)/b25-15-/t31-/m1/s1

InChI Key

APGXEAHYFSEMLT-MTXGHEBJSA-N

MDL Number (MFCD)

MFCD15025576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

728.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.292

Distribution Coefficient, logD

5.278

Water Solubility, LogSw

-5.40

Polar Surface Area

101.829

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

G642-6492 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G642-6492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6492?
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What is the minimum amount of G642-6492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6492
  • 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 G642-6492 available by request