G642-5961 Screening compound: 4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

G642-5961 Screening compound: 4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate
G642-5961 Screening compound: 4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-5961
4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl 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

G642-5961

Molecular Formula

C24H24IN3O7 (C24 H24 IN3 O7)

Compound Name

4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-4,5-dihydro-1,3,4-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

IUPAC name

4-(4-acetyl-5-{[N-(4-iodo-2-methylphenyl)acetamido]methyl}-45-dihydro-134-oxadiazol-2-yl)-3-(acetyloxy)phenyl acetate

SMILES

CC(N(CC1OC(c(ccc(OC(C)=O)c2)c2OC(C)=O)=NN1C(C)=O)c(cc1)c(C)cc1I)=O

InChI

InChI=1S/C24H24IN3O7/c1-13-10-18(25)6-9-21(13)27(14(2)29)12-23-28(15(3)30)26-24(35-23)20-8-7-19(33-16(4)31)11-22(20)34-17(5)32/h6-11,23H,12H2,1-5H3/t23-/m0/s1

InChI Key

YINBFJLMVVYZOY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15025503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.97

Polar Surface Area

93.096

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with G642-5961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-5961?
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What is the minimum amount of G642-5961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-5961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-5961
  • 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 G642-5961 available by request