E002-1795 Screening compound: methyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

E002-1795 Screening compound: methyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate
E002-1795 Screening compound: methyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1795
methyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

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

E002-1795

Molecular Formula

C19H27N5O3S (C19 H27 N5 O3 S)

Compound Name

methyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

IUPAC name

methyl 4-[({5-[bis(2-methylpropyl)amino]-134-thiadiazol-2-yl}carbamoyl)amino]benzoate

SMILES

CC(C)CN(CC(C)C)c1nnc(NC(Nc(cc2)ccc2C(OC)=O)=O)s1

InChI

InChI=1S/C19H27N5O3S/c1-12(2)10-24(11-13(3)4)19-23-22-18(28-19)21-17(26)20-15-8-6-14(7-9-15)16(25)27-5/h6-9,12-13H,10-11H2,1-5H3,(H2,20,21,22,26)

InChI Key

AVXFDMLYDCIZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.45

Polar Surface Area

80.362

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

E002-1795 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E002-1795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1795?
Check Price and Availability of E002-1795, 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 E002-1795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1795
  • 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 E002-1795 available by request