1513-0675 Screening compound: 4-chloro-N-[4'-(4-chlorobenzamido)-3,3'-dimethyl-[1,1'-biphenyl]-4-yl]benzamide

1513-0675 Screening compound: 4-chloro-N-[4'-(4-chlorobenzamido)-3,3'-dimethyl-[1,1'-biphenyl]-4-yl]benzamide
1513-0675 Screening compound: 4-chloro-N-[4'-(4-chlorobenzamido)-3,3'-dimethyl-[1,1'-biphenyl]-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1513-0675
4-chloro-N-[4'-(4-chlorobenzamido)-3,3'-dimethyl-[1,1'-biphenyl]-4-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

1513-0675

Molecular Formula

C28H22Cl2N2O2 (C28 H22 Cl2 N2 O2)

Compound Name

4-chloro-N-[4'-(4-chlorobenzamido)-3,3'-dimethyl-[1,1'-biphenyl]-4-yl]benzamide

IUPAC name

4-chloro-N-[4'-(4-chlorobenzamido)-33'-dimethyl-[11'-biphenyl]-4-yl]benzamide

SMILES

Cc(cc(cc1)-c(cc2)cc(C)c2NC(c(cc2)ccc2Cl)=O)c1NC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C28H22Cl2N2O2/c1-17-15-21(7-13-25(17)31-27(33)19-3-9-23(29)10-4-19)22-8-14-26(18(2)16-22)32-28(34)20-5-11-24(30)12-6-20/h3-16H,1-2H3,(H,31,33)(H,32,34)

InChI Key

AZVRHNRHVYJTPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00998949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.142

Distribution Coefficient, logD

7.142

Water Solubility, LogSw

-6.49

Polar Surface Area

44.754

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

1513-0675 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1513-0675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1513-0675?
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What is the minimum amount of 1513-0675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1513-0675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1513-0675
  • 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 1513-0675 available by request