K784-7948 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

Chemical Structure Depiction of ChemDiv screening compound K784-7948
N~1~-(3,4-dimethoxyphenethyl)-3-{[(4-ethylanilino)carbonyl]amino}-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K784-7948

Molecular Formula

C₃₇H₄₁N₅O₅ (C37 H41 N5 O5)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-{[(4-ethylphenyl)carbamoyl]amino}-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

CCc(cc1)ccc1NC(Nc(cc(cc1)C(NCCc(cc2)cc(OC)c2OC)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O)=O

InChI

InChI=1S/C37H41N5O5/c1-4-24-8-12-29(13-9-24)39-37(45)40-30-20-27(36(44)38-17-16-25-10-15-33(46-2)34(19-25)47-3)11-14-32(30)41-21-26-18-28(23-41)31-6-5-7-35(43)42(31)22-26/h5-15,19-20,26,28H,4,16-18,21-23H2,1-3H3,(H,38,44)(H2,39,40,45)

InChI Key

IBYVDJGGLMAJRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

635.76

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-5.43

Polar Surface Area

90.210

Acid Dissociation Constant (pK_a)

10.13

Base Dissociation Constant (pK_b)

6.78

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

32.40

K784-7948 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Cardiovascular
Metabolic
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Cyclic compounds
Cyclic compounds

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K784-7948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7948?
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What is the minimum amount of K784-7948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K784-7948
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K784-7948

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 K784-7948 available by request