3341-1866 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

3341-1866 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide
3341-1866 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1866
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)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

3341-1866

Molecular Formula

C29H23N3O4S (C29 H23 N3 O4 S)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzamide

IUPAC name

N-[4-(13-benzoxazol-2-yl)phenyl]-4-(1234-tetrahydroquinoline-1-sulfonyl)benzamide

SMILES

O=C(c(cc1)ccc1S(N(CCC1)c2c1cccc2)(=O)=O)Nc(cc1)ccc1-c1nc(cccc2)c2o1

InChI

InChI=1S/C29H23N3O4S/c33-28(30-23-15-11-22(12-16-23)29-31-25-8-2-4-10-27(25)36-29)21-13-17-24(18-14-21)37(34,35)32-19-5-7-20-6-1-3-9-26(20)32/h1-4,6,8-18H,5,7,19H2,(H,30,33)

InChI Key

MRDKMWPOCROPDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04419064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-5.78

Polar Surface Area

71.292

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3341-1866 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3341-1866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-1866?
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What is the minimum amount of 3341-1866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1866
  • 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 3341-1866 available by request