G642-1941 Screening compound: 2-[(4-acetyl-5-{4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

G642-1941 Screening compound: 2-[(4-acetyl-5-{4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
G642-1941 Screening compound: 2-[(4-acetyl-5-{4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-4,5-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 G642-1941
2-[(4-acetyl-5-{4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-4,5-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

G642-1941

Molecular Formula

C28H25BrClIN4O6 (C28 H25 BrClIN4 O6)

Compound Name

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

IUPAC name

2-[(4-acetyl-5-{4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-45-dihydro-134-oxadiazol-2-yl)methoxy]-5-bromo-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

CC(N1N=C(COc(c(C#N)c2COC)nc(C)c2Br)OC1c(cc1OC)cc(I)c1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C28H25BrClIN4O6/c1-15-25(29)20(13-37-3)19(11-32)27(33-15)40-14-24-34-35(16(2)36)28(41-24)18-9-22(31)26(23(10-18)38-4)39-12-17-7-5-6-8-21(17)30/h5-10,28H,12-14H2,1-4H3/t28-/m0/s1

InChI Key

WODHAVINGBPSDQ-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD15025336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

755.79

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

6.145

Distribution Coefficient, logD

6.145

Water Solubility, LogSw

-6.18

Polar Surface Area

93.358

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

G642-1941 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 G642-1941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-1941?
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What is the minimum amount of G642-1941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1941
  • 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 G642-1941 available by request