G642-2141 Screening compound: 1-[3-acetyl-5-(6-methoxy-2-naphthyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate

G642-2141 Screening compound: 1-[3-acetyl-5-(6-methoxy-2-naphthyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate
G642-2141 Screening compound: 1-[3-acetyl-5-(6-methoxy-2-naphthyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G642-2141
1-[3-acetyl-5-(6-methoxy-2-naphthyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl 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

G642-2141

Molecular Formula

C29H25N3O8 (C29 H25 N3 O8)

Compound Name

1-[3-acetyl-5-(6-methoxy-2-naphthyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate

IUPAC name

3-[3-acetyl-5-(6-methoxynaphthalen-2-yl)-23-dihydro-134-oxadiazol-2-yl]-5-nitro-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl acetate

SMILES

CC(N1N=C(c(ccc2c3)cc2ccc3OC)OC1c1c(c(CCCC2)c2o2)c2cc([N+]([O-])=O)c1OC(C)=O)=O

InChI

InChI=1S/C29H25N3O8/c1-15(33)31-29(40-28(30-31)19-9-8-18-13-20(37-3)11-10-17(18)12-19)26-25-21-6-4-5-7-23(21)39-24(25)14-22(32(35)36)27(26)38-16(2)34/h8-14,29H,4-7H2,1-3H3/t29-/m0/s1

InChI Key

PMWZYUXQHHTVNC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD15025383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.53

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

5.369

Distribution Coefficient, logD

5.369

Water Solubility, LogSw

-5.88

Polar Surface Area

104.644

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

G642-2141 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 G642-2141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G642-2141?
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What is the minimum amount of G642-2141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G642-2141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G642-2141
  • 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 G642-2141 available by request