K622-0251 Screening compound: 3-{[(4-bromophenyl)sulfonyl]amino}-N~1~-(4-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K622-0251 Screening compound: 3-{[(4-bromophenyl)sulfonyl]amino}-N~1~-(4-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K622-0251 Screening compound: 3-{[(4-bromophenyl)sulfonyl]amino}-N~1~-(4-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K622-0251
3-{[(4-bromophenyl)sulfonyl]amino}-N~1~-(4-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-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

K622-0251

Molecular Formula

C32H31BrN4O5S (C32 H31 BrN4 O5 S)

Compound Name

3-{[(4-bromophenyl)sulfonyl]amino}-N~1~-(4-methoxybenzyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

3-(4-bromobenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

COc1ccc(CNC(c(cc2)cc(NS(c(cc3)ccc3Br)(=O)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=O)cc1

InChI

InChI=1S/C32H31BrN4O5S/c1-42-26-10-5-21(6-11-26)17-34-32(39)23-7-14-30(28(16-23)35-43(40,41)27-12-8-25(33)9-13-27)36-18-22-15-24(20-36)29-3-2-4-31(38)37(29)19-22/h2-14,16,22,24,35H,15,17-20H2,1H3,(H,34,39)

InChI Key

RUJXKJAIVIMVIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

663.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

2.950

Water Solubility, LogSw

-5.41

Polar Surface Area

90.998

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

K622-0251 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K622-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K622-0251?
Check Price and Availability of K622-0251, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K622-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K622-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K622-0251
  • 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 K622-0251 available by request