G642-6599 Screening compound: 2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

G642-6599 Screening compound: 2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
G642-6599 Screening compound: 2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6599
2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-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

G642-6599

Molecular Formula

C32H28BrIN4O6 (C32 H28 BrIN4 O6)

Compound Name

2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-[(3-acetyl-5-{3-iodo-5-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}-23-dihydro-134-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

CC(N1N=C(c(cc2OC)cc(I)c2OCc2cccc3ccccc23)OC1COc(c(C#N)c1COC)nc(C)c1Br)=O

InChI

InChI=1S/C32H28BrIN4O6/c1-18-29(33)25(16-40-3)24(14-35)32(36-18)43-17-28-38(19(2)39)37-31(44-28)22-12-26(34)30(27(13-22)41-4)42-15-21-10-7-9-20-8-5-6-11-23(20)21/h5-13,28H,15-17H2,1-4H3/t28-/m1/s1

InChI Key

KXVFXEYCHNGLMT-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD15025604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

771.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.811

Distribution Coefficient, logD

6.811

Water Solubility, LogSw

-6.79

Polar Surface Area

93.135

Acid Dissociation Constant (pKa)

24.41

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G642-6599 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with G642-6599 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G642-6599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6599
  • 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 G642-6599 available by request