G642-7027 Screening compound: 2-[4-acetyl-5-(pyridin-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl acetate

G642-7027 Screening compound: 2-[4-acetyl-5-(pyridin-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl acetate
G642-7027 Screening compound: 2-[4-acetyl-5-(pyridin-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-7027
2-[4-acetyl-5-(pyridin-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl 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

G642-7027

Molecular Formula

C18H16N4O7 (C18 H16 N4 O7)

Compound Name

2-[4-acetyl-5-(pyridin-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl acetate

IUPAC name

2-[4-acetyl-5-(pyridin-4-yl)-45-dihydro-134-oxadiazol-2-yl]-6-methoxy-4-nitrophenyl acetate

SMILES

CC(N1N=C(c2cc([N+]([O-])=O)cc(OC)c2OC(C)=O)OC1c1ccncc1)=O

InChI

InChI=1S/C18H16N4O7/c1-10(23)21-18(12-4-6-19-7-5-12)29-17(20-21)14-8-13(22(25)26)9-15(27-3)16(14)28-11(2)24/h4-9,18H,1-3H3/t18-/m1/s1

InChI Key

FACWEELVHVXJJG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15025670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.35

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-1.84

Polar Surface Area

106.616

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G642-7027 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 G642-7027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-7027?
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What is the minimum amount of G642-7027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-7027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-7027
  • 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 G642-7027 available by request