C795-0061 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

C795-0061 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea
C795-0061 Screening compound: 3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0061
3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

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

C795-0061

Molecular Formula

C18H27N5O2S (C18 H27 N5 O2 S)

Compound Name

3-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

IUPAC name

3-{5-[bis(2-methylpropyl)amino]-134-thiadiazol-2-yl}-1-(2-methoxyphenyl)urea

SMILES

CC(C)CN(CC(C)C)c1nnc(NC(Nc(cccc2)c2OC)=O)s1

InChI

InChI=1S/C18H27N5O2S/c1-12(2)10-23(11-13(3)4)18-22-21-17(26-18)20-16(24)19-14-8-6-7-9-15(14)25-5/h6-9,12-13H,10-11H2,1-5H3,(H2,19,20,21,24)

InChI Key

RBTDLCGDIUCKSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-4.95

Polar Surface Area

66.121

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C795-0061 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C795-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0061?
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What is the minimum amount of C795-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0061
  • 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 C795-0061 available by request