8018-7019 Screening compound: methyl 7-(4-bromobenzamido)-2-methyl-1,3-benzoxazole-5-carboxylate

8018-7019 Screening compound: methyl 7-(4-bromobenzamido)-2-methyl-1,3-benzoxazole-5-carboxylate
8018-7019 Screening compound: methyl 7-(4-bromobenzamido)-2-methyl-1,3-benzoxazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7019
methyl 7-(4-bromobenzamido)-2-methyl-1,3-benzoxazole-5-carboxylate

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

8018-7019

Molecular Formula

C17H13BrN2O4 (C17 H13 BrN2 O4)

Compound Name

methyl 7-(4-bromobenzamido)-2-methyl-1,3-benzoxazole-5-carboxylate

IUPAC name

methyl 7-(4-bromobenzamido)-2-methyl-13-benzoxazole-5-carboxylate

SMILES

Cc1nc2cc(C(OC)=O)cc(NC(c(cc3)ccc3Br)=O)c2o1

InChI

InChI=1S/C17H13BrN2O4/c1-9-19-13-7-11(17(22)23-2)8-14(15(13)24-9)20-16(21)10-3-5-12(18)6-4-10/h3-8H,1-2H3,(H,20,21)

InChI Key

VYEGLXPMDPEDFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-4.13

Polar Surface Area

60.348

Acid Dissociation Constant (pKa)

7.05

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8018-7019 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-7019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7019?
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What is the minimum amount of 8018-7019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7019
  • 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 8018-7019 available by request