G642-6540 Screening compound: 2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate

G642-6540 Screening compound: 2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate
G642-6540 Screening compound: 2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6540
2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl 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

G642-6540

Molecular Formula

C25H22BrN3O5S (C25 H22 BrN3 O5 S)

Compound Name

2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-bromophenyl acetate

IUPAC name

2-(3-acetyl-5-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-23-dihydro-134-oxadiazol-2-yl)-4-bromophenyl acetate

SMILES

CC(N1N=C(c(cc2)cc(CSc3ncccc3)c2OC)OC1c(cc(cc1)Br)c1OC(C)=O)=O

InChI

InChI=1S/C25H22BrN3O5S/c1-15(30)29-25(20-13-19(26)8-10-22(20)33-16(2)31)34-24(28-29)17-7-9-21(32-3)18(12-17)14-35-23-6-4-5-11-27-23/h4-13,25H,14H2,1-3H3/t25-/m0/s1

InChI Key

FHMQZVWZCPGFTB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27148592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.659

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.58

Polar Surface Area

71.857

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G642-6540 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 G642-6540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6540?
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What is the minimum amount of G642-6540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6540
  • 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 G642-6540 available by request