G434-1062 Screening compound: 2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]benzamide

G434-1062 Screening compound: 2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]benzamide
G434-1062 Screening compound: 2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G434-1062
2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]benzamide

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

G434-1062

Molecular Formula

C18H17BrN2O4 (C18 H17 BrN2 O4)

Compound Name

2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-2,3-dihydro-1,3-benzoxazol-6-yl]benzamide

IUPAC name

2-bromo-5-methoxy-N-[2-oxo-3-(propan-2-yl)-23-dihydro-13-benzoxazol-6-yl]benzamide

SMILES

CC(C)N(c(ccc(NC(c(cc(cc1)OC)c1Br)=O)c1)c1O1)C1=O

InChI

InChI=1S/C18H17BrN2O4/c1-10(2)21-15-7-4-11(8-16(15)25-18(21)23)20-17(22)13-9-12(24-3)5-6-14(13)19/h4-10H,1-3H3,(H,20,22)

InChI Key

SONJJKVOTXVAML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27141922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.23

Polar Surface Area

53.694

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G434-1062 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 G434-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G434-1062?
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What is the minimum amount of G434-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G434-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G434-1062
  • 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 G434-1062 available by request