2152-0253 Screening compound: 2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide

2152-0253 Screening compound: 2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide
2152-0253 Screening compound: 2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2152-0253
2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide

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

2152-0253

Molecular Formula

C22H17BrN4O4 (C22 H17 BrN4 O4)

Compound Name

2-bromo-N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-5-nitrobenzamide

IUPAC name

2-bromo-N-{2-[4-(dimethylamino)phenyl]-13-benzoxazol-5-yl}-5-nitrobenzamide

SMILES

CN(C)c(cc1)ccc1-c1nc(cc(cc2)NC(c(cc(cc3)[N+]([O-])=O)c3Br)=O)c2o1

InChI

InChI=1S/C22H17BrN4O4/c1-26(2)15-6-3-13(4-7-15)22-25-19-11-14(5-10-20(19)31-22)24-21(28)17-12-16(27(29)30)8-9-18(17)23/h3-12H,1-2H3,(H,24,28)

InChI Key

VPEWSHIEUMHMPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.72

Polar Surface Area

76.326

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2152-0253 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2152-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2152-0253?
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What is the minimum amount of 2152-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2152-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2152-0253
  • 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 2152-0253 available by request