G642-1971 Screening compound: 2-[3-acetyl-5-(6-methylpyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dibromophenyl 3,4,5-trimethoxybenzoate

G642-1971 Screening compound: 2-[3-acetyl-5-(6-methylpyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dibromophenyl 3,4,5-trimethoxybenzoate
G642-1971 Screening compound: 2-[3-acetyl-5-(6-methylpyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dibromophenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-1971
2-[3-acetyl-5-(6-methylpyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4,6-dibromophenyl 3,4,5-trimethoxybenzoate

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

G642-1971

Molecular Formula

C26H23Br2N3O7 (C26 H23 Br2 N3 O7)

Compound Name

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

IUPAC name

2-[3-acetyl-5-(6-methylpyridin-3-yl)-23-dihydro-134-oxadiazol-2-yl]-46-dibromophenyl 345-trimethoxybenzoate

SMILES

CC(N1N=C(c2cnc(C)cc2)OC1c1cc(Br)cc(Br)c1OC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C26H23Br2N3O7/c1-13-6-7-15(12-29-13)24-30-31(14(2)32)25(38-24)18-10-17(27)11-19(28)22(18)37-26(33)16-8-20(34-3)23(36-5)21(9-16)35-4/h6-12,25H,1-5H3/t25-/m0/s1

InChI Key

GCOUIVOJRRZOCJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15025342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.862

Water Solubility, LogSw

-4.61

Polar Surface Area

87.724

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

G642-1971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G642-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G642-1971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-1971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-1971
  • 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 G642-1971 available by request