V013-0037 Screening compound: ethyl 2-(6-chloropyridine-3-amido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

V013-0037 Screening compound: ethyl 2-(6-chloropyridine-3-amido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
V013-0037 Screening compound: ethyl 2-(6-chloropyridine-3-amido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0037
ethyl 2-(6-chloropyridine-3-amido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

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

V013-0037

Molecular Formula

C20H25ClN2O3S (C20 H25 ClN2 O3 S)

Compound Name

ethyl 2-(6-chloropyridine-3-amido)-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

IUPAC name

ethyl 2-(6-chloropyridine-3-amido)-5-(44-dimethylpentan-2-yl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cnc2Cl)=O)sc(C(C)CC(C)(C)C)c1)=O

InChI

InChI=1S/C20H25ClN2O3S/c1-6-26-19(25)14-9-15(12(2)10-20(3,4)5)27-18(14)23-17(24)13-7-8-16(21)22-11-13/h7-9,11-12H,6,10H2,1-5H3,(H,23,24)/t12-/m0/s1

InChI Key

GWLMAJBPKYFHKA-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19957069

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.307

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-5.79

Polar Surface Area

52.882

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

V013-0037 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V013-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0037?
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What is the minimum amount of V013-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0037
  • 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 V013-0037 available by request