V029-3707 Screening compound: 1-[(2-fluorophenyl)methyl]-5-(4-methylbenzamido)-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide

Chemical Structure Depiction of ChemDiv screening compound V029-3707
1-[(2-fluorophenyl)methyl]-5-(4-methylbenzamido)-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide

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

V029-3707

Molecular Formula

C₃₀H₃₁FN₄O₃ (C30 H31 FN4 O3)

Compound Name

1-[(2-fluorophenyl)methyl]-5-(4-methylbenzamido)-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide

IUPAC name

1-[(2-fluorophenyl)methyl]-5-(4-methylbenzamido)-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide

SMILES

Cc(cc1)ccc1C(Nc(cc1)cc2c1n(Cc(cccc1)c1F)c(C(NCCN1CCOCC1)=O)c2)=O

InChI

InChI=1S/C30H31FN4O3/c1-21-6-8-22(9-7-21)29(36)33-25-10-11-27-24(18-25)19-28(35(27)20-23-4-2-3-5-26(23)31)30(37)32-12-13-34-14-16-38-17-15-34/h2-11,18-19H,12-17,20H2,1H3,(H,32,37)(H,33,36)

InChI Key

GFZNLOQMIBLEBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784699

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

514.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.687

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.50

Polar Surface Area

59.930

Acid Dissociation Constant (pK_a)

11.72

Base Dissociation Constant (pK_b)

6.25

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

26.70

V029-3707 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Nervous system
Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Male
Female
Hemic and lymphatic
Skin
Cancer
Nervous system
Hemic and lymphatic
Endocrine
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Structure:

Cyclic compounds

Targets:

Kinases
Phosphatases

Mechanism of action:

Epigenetic

References: we are preparing a list of scientific research reports with V029-3707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3707?
Check Price and Availability of V029-3707, 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 V029-3707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for V029-3707
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for V029-3707

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 V029-3707 available by request