V008-6068 Screening compound: ethyl 3-[(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate

V008-6068 Screening compound: ethyl 3-[(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate
V008-6068 Screening compound: ethyl 3-[(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6068
ethyl 3-[(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate

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

V008-6068

Molecular Formula

C20H25ClN4O4S (C20 H25 ClN4 O4 S)

Compound Name

ethyl 3-[(2-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate

IUPAC name

ethyl 3-[(2-{[5-(4-chlorophenyl)-134-thiadiazol-2-yl]carbamoyl}ethyl)(propyl)carbamoyl]propanoate

SMILES

CCCN(CCC(Nc1nnc(-c(cc2)ccc2Cl)s1)=O)C(CCC(OCC)=O)=O

InChI

InChI=1S/C20H25ClN4O4S/c1-3-12-25(17(27)9-10-18(28)29-4-2)13-11-16(26)22-20-24-23-19(30-20)14-5-7-15(21)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,22,24,26)

InChI Key

NQHWPFMITUORLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19714724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-3.84

Polar Surface Area

82.732

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

V008-6068 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-6068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6068?
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What is the minimum amount of V008-6068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6068
  • 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 V008-6068 available by request