8018-9967 Screening compound: methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate

8018-9967 Screening compound: methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate
8018-9967 Screening compound: methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9967
methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate

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

8018-9967

Molecular Formula

C18H15BrN4O6 (C18 H15 BrN4 O6)

Compound Name

methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate

IUPAC name

methyl 4-[(2-{[3-(5-bromofuran-2-yl)-124-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate

SMILES

COC(c(cc1)ccc1C(NCCNC(c1nc(-c(o2)ccc2Br)no1)=O)=O)=O

InChI

InChI=1S/C18H15BrN4O6/c1-27-18(26)11-4-2-10(3-5-11)15(24)20-8-9-21-16(25)17-22-14(23-29-17)12-6-7-13(19)28-12/h2-7H,8-9H2,1H3,(H,20,24)(H,21,25)

InChI Key

PTACRCGNRKSDAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.24

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.37

Polar Surface Area

110.797

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8018-9967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9967?
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What is the minimum amount of 8018-9967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9967
  • 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 8018-9967 available by request