G642-6974 Screening compound: 2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate

G642-6974 Screening compound: 2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate
G642-6974 Screening compound: 2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-6974
2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-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

G642-6974

Molecular Formula

C26H21ClN4O7 (C26 H21 ClN4 O7)

Compound Name

2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-4,5-dihydro-1,3,4-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate

IUPAC name

2-{4-acetyl-5-[3-(2-methylbenzamido)phenyl]-45-dihydro-134-oxadiazol-2-yl}-4-chloro-6-nitrophenyl acetate

SMILES

CC(N1N=C(c2cc(Cl)cc([N+]([O-])=O)c2OC(C)=O)OC1c1cc(NC(c2c(C)cccc2)=O)ccc1)=O

InChI

InChI=1S/C26H21ClN4O7/c1-14-7-4-5-10-20(14)24(34)28-19-9-6-8-17(11-19)26-30(15(2)32)29-25(38-26)21-12-18(27)13-22(31(35)36)23(21)37-16(3)33/h4-13,26H,1-3H3,(H,28,34)/t26-/m1/s1

InChI Key

XKACVFPDCWWTAJ-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15025662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.93

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.67

Polar Surface Area

112.347

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

G642-6974 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 G642-6974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-6974?
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What is the minimum amount of G642-6974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-6974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-6974
  • 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 G642-6974 available by request