V007-6104 Screening compound: 2-(1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide

V007-6104 Screening compound: 2-(1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide
V007-6104 Screening compound: 2-(1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-6104
2-(1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide

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

V007-6104

Molecular Formula

C20H21N5O3S (C20 H21 N5 O3 S)

Compound Name

2-(1-{2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide

IUPAC name

2-(1-{2-[(2-methoxyphenyl)amino]-13-thiazol-4-yl}-N-methylformamido)-N-[(pyridin-4-yl)methyl]acetamide

SMILES

CN(CC(NCc1ccncc1)=O)C(c1csc(Nc(cccc2)c2OC)n1)=O

InChI

InChI=1S/C20H21N5O3S/c1-25(12-18(26)22-11-14-7-9-21-10-8-14)19(27)16-13-29-20(24-16)23-15-5-3-4-6-17(15)28-2/h3-10,13H,11-12H2,1-2H3,(H,22,26)(H,23,24)

InChI Key

IFCMHMRMTSFOJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792944

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.62

Polar Surface Area

76.180

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V007-6104 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V007-6104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-6104?
Check Price and Availability of V007-6104, 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 V007-6104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-6104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-6104
  • 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 V007-6104 available by request