V001-5807 Screening compound: N~4~-[3-(sec-butylamino)-3-oxopropyl]-N~4~-cyclopropyl-2-(2,5-dichloroanilino)-1,3-thiazole-4-carboxamide

V001-5807 Screening compound: N~4~-[3-(sec-butylamino)-3-oxopropyl]-N~4~-cyclopropyl-2-(2,5-dichloroanilino)-1,3-thiazole-4-carboxamide
V001-5807 Screening compound: N~4~-[3-(sec-butylamino)-3-oxopropyl]-N~4~-cyclopropyl-2-(2,5-dichloroanilino)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5807
N~4~-[3-(sec-butylamino)-3-oxopropyl]-N~4~-cyclopropyl-2-(2,5-dichloroanilino)-1,3-thiazole-4-carboxamide

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

V001-5807

Molecular Formula

C20H24Cl2N4O2S (C20 H24 Cl2 N4 O2 S)

Compound Name

N~4~-[3-(sec-butylamino)-3-oxopropyl]-N~4~-cyclopropyl-2-(2,5-dichloroanilino)-1,3-thiazole-4-carboxamide

IUPAC name

N-(butan-2-yl)-3-(N-cyclopropyl-1-{2-[(25-dichlorophenyl)amino]-13-thiazol-4-yl}formamido)propanamide

SMILES

CCC(C)NC(CCN(C1CC1)C(c1csc(Nc(cc(cc2)Cl)c2Cl)n1)=O)=O

InChI

InChI=1S/C20H24Cl2N4O2S/c1-3-12(2)23-18(27)8-9-26(14-5-6-14)19(28)17-11-29-20(25-17)24-16-10-13(21)4-7-15(16)22/h4,7,10-12,14H,3,5-6,8-9H2,1-2H3,(H,23,27)(H,24,25)/t12-/m0/s1

InChI Key

GXZJREQOPDCGSZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19790252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.202

Distribution Coefficient, logD

5.202

Water Solubility, LogSw

-5.68

Polar Surface Area

58.177

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with V001-5807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5807?
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What is the minimum amount of V001-5807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5807
  • 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 V001-5807 available by request